Chemical ID: 6720227

CCOc1ccc(cc1)C[NH+]2CCC(CC2)[NH+]3CC[NH+](CC3)C
Chemical ID:
6720227
Name [?]:
1-[1-[(4-ethoxyphenyl)methyl]-3,4,5,6-tetrahydro-2H-pyridin-4-yl]-4-methyl-2,3,5,6-tetrahydropyrazine
SMILES [?]:
CCOc1ccc(cc1)C[NH+]2CCC(CC2)[NH+]3CC[NH+](CC3)C
InChi [?]:
InChI=1/C19H31N3O/c1-3-23-19-6-4-17(5-7-19)16-21-10-8-18(9-11-21)22-14-12-20(2)13-15-22/h4-7,18H,3,8-16H2,1-2H3/p+3
InChi Info:
AuxInfo=1/1/N:1,23,2,6,8,5,9,13,15,12,16,19,21,18,22,10,7,14,4,20,11,17,3/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:23nCCOCCCCCCCN+CCCCCN+CCN+CCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;s14;s11s15;s14;s17;s18;s19;s20;s17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H34N3O+3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-181.08
Area:543.077
Solvation:-194.657
Coulombic:198.033
Bond Count [?]
All:25
Single:22
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:320.493
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:2.15
LogP (Chemaxon):1.8

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Descriptor Annotations

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