4-[2-[4-butyl-4-(2-methylphenyl)-3-oxidanylidene-piperazin-4-ium-1-yl]-2-(1H-imidazol-5-yl)ethyl]benzenecarbonitrile

Systemtic Name: 4-[2-[4-butyl-4-(2-methylphenyl)-3-oxidanylidene-piperazin-4-ium-1-yl]-2-(1H-imidazol-5-yl)ethyl]benzenecarbonitrile Openeye Name: 4-[2-[4-butyl-4-(o-tolyl)-3-oxo-piperazin-4-ium-1-yl]-2-(1H-imidazol-5-yl)ethyl]benzonitrile CAS Name: 4-[2-[4-butyl-4-(2-methylphenyl)-3-oxo-1-piperazin-4-iumyl]-2-(1H-imidazol-5-yl)ethyl]benzonitrile IUPAC Name: 4-[2-[4-butyl-4-(2-methylphenyl)-3-oxopiperazin-4-ium-1-yl]-2-(1H-imidazol-5-yl)ethyl]benzonitrile Traditional Name: 4-[2-[4-butyl-3-keto-4-(o-tolyl)piperazin-4-ium-1-yl]-2-(1H-imidazol-5-yl)ethyl]benzonitrile Formula: C27H32N5O+ MolecularWeight: 442.57588

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCN(CC1=O)C(CC2=CC=C(C=C2)C#N)C3=CN=CN3)C4=CC=CC=C4C

Isomeric SMILES

CCCC[N+]1(CCN(CC1=O)C(CC2=CC=C(C=C2)C#N)C3=CN=CN3)C4=CC=CC=C4C

InChI

InChI=1S/C27H32N5O/c1-3-4-14-32(26-8-6-5-7-21(26)2)15-13-31(19-27(32)33)25(24-18-29-20-30-24)16-22-9-11-23(17-28)12-10-22/h5-12,18,20,25H,3-4,13-16,19H2,1-2H3,(H,29,30)/q+1