4-[(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]benzonitrile CAS Name: 4-[[4-(2-quinolin-1-iumyl)-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]benzonitrile Traditional Name: 4-[(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]benzonitrile Formula: C21H22N4+2 MolecularWeight: 330.42618

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C3=[NH+]C4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C3=[NH+]C4=CC=CC=C4C=C3

InChI

InChI=1S/C21H20N4/c22-15-17-5-7-18(8-6-17)16-24-11-13-25(14-12-24)21-10-9-19-3-1-2-4-20(19)23-21/h1-10H,11-14,16H2/p+2