Chemical ID: 7194305

c1ccc(cc1)CC(c2ccccc2)[NH2+]Cc3cc[nH+]cc3
Chemical ID:
7194305
Name [?]:
1,2-diphenylethyl-(1H-pyridin-4-ylmethyl)ammonium
SMILES [?]:
c1ccc(cc1)CC(c2ccccc2)[NH2+]Cc3cc[nH+]cc3
InChi [?]:
InChI=1/C20H20N2/c1-3-7-17(8-4-1)15-20(19-9-5-2-6-10-19)22-16-18-11-13-21-14-12-18/h1-14,20,22H,15-16H2/p+2
InChi Info:
AuxInfo=1/1/N:1,12,2,6,11,13,3,5,10,14,18,22,19,21,7,16,4,17,9,8,20,15/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:22cCCCCCCCCCCCCCCN+CCCCN+CC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s8;s15;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22N2+2
All Atoms:44
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:-84.3061
Area:510.905
Solvation:-97.0787
Coulombic:75.2096
Bond Count [?]
All:24
Single:15
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:290.402
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:3.96
LogP (Chemaxon):4.14

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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