4-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-8-ethyl-quinoline-3-carbonitrile

Systemtic Name: 4-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-8-ethyl-quinoline-3-carbonitrile Openeye Name: 4-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-8-ethyl-quinoline-3-carbonitrile CAS Name: 4-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-8-ethyl-3-quinolinecarbonitrile IUPAC Name: 4-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-8-ethylquinoline-3-carbonitrile Traditional Name: 4-[4-(4-cyanobenzyl)-1,4-diazepan-4-ium-1-yl]-8-ethyl-quinoline-3-carbonitrile Formula: C25H26N5+ MolecularWeight: 396.50744

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C(C(=CN=C21)C#N)N3CCC[NH+](CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CCC1=CC=CC2=C(C(=CN=C21)C#N)N3CCC[NH+](CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H25N5/c1-2-21-5-3-6-23-24(21)28-17-22(16-27)25(23)30-12-4-11-29(13-14-30)18-20-9-7-19(15-26)8-10-20/h3,5-10,17H,2,4,11-14,18H2,1H3/p+1