4-[[4-[2-(2-oxidanylideneazepan-1-yl)ethanoyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(2-oxidanylideneazepan-1-yl)ethanoyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(2-oxoazepan-1-yl)acetyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[1-oxo-2-(2-oxo-1-azepanyl)ethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(2-oxoazepan-1-yl)acetyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(2-ketoazepan-1-yl)acetyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C20H27N4O2+ MolecularWeight: 355.45398

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCC(=O)N(CC1)CC(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H26N4O2/c21-14-17-5-7-18(8-6-17)15-22-10-12-23(13-11-22)20(26)16-24-9-3-1-2-4-19(24)25/h5-8H,1-4,9-13,15-16H2/p+1