Chemical ID: 4225999

Cc1ccc2c(c1)c3c([nH]2)C(CCC3)[NH2+]Cc4ccccc4
Chemical ID:
4225999
Name [?]:
benzyl-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-ammonium
SMILES [?]:
Cc1ccc2c(c1)c3c([nH]2)C(CCC3)[NH2+]Cc4ccccc4
InChi [?]:
InChI=1/C20H22N2/c1-14-10-11-18-17(12-14)16-8-5-9-19(20(16)22-18)21-13-15-6-3-2-4-7-15/h2-4,6-7,10-12,19,21-22H,5,8-9,13H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,20,19,21,13,18,22,14,12,3,4,7,16,2,17,8,6,5,11,9,15,10/E:(3,4)(6,7)/rA:22cCCCCCCCCCNCCCCN+CCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s5s9;s9;s11;s12;s8s13;s11;s15;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23N2+
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:-19.7021
Area:501.694
Solvation:-32.2444
Coulombic:20.7944
Bond Count [?]
All:25
Single:18
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:291.41
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:4.43
LogP (Chemaxon):4.83

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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