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

Systemtic Name: 4-[2-[1-butyl-4-(cyclopropylmethyl)-3-oxidanylidene-piperazin-1-ium-1-yl]-2-(1H-imidazol-5-yl)ethyl]benzenecarbonitrile Openeye Name: 4-[2-[1-butyl-4-(cyclopropylmethyl)-3-oxo-piperazin-1-ium-1-yl]-2-(1H-imidazol-5-yl)ethyl]benzonitrile CAS Name: 4-[2-[1-butyl-4-(cyclopropylmethyl)-3-oxo-1-piperazin-1-iumyl]-2-(1H-imidazol-5-yl)ethyl]benzonitrile IUPAC Name: 4-[2-[1-butyl-4-(cyclopropylmethyl)-3-oxopiperazin-1-ium-1-yl]-2-(1H-imidazol-5-yl)ethyl]benzonitrile Traditional Name: 4-[2-[1-butyl-4-(cyclopropylmethyl)-3-keto-piperazin-1-ium-1-yl]-2-(1H-imidazol-5-yl)ethyl]benzonitrile Formula: C24H32N5O+ MolecularWeight: 406.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCN(C(=O)C1)CC2CC2)C(CC3=CC=C(C=C3)C#N)C4=CN=CN4

Isomeric SMILES

CCCC[N+]1(CCN(C(=O)C1)CC2CC2)C(CC3=CC=C(C=C3)C#N)C4=CN=CN4

InChI

InChI=1S/C24H32N5O/c1-2-3-11-29(12-10-28(24(30)17-29)16-21-8-9-21)23(22-15-26-18-27-22)13-19-4-6-20(14-25)7-5-19/h4-7,15,18,21,23H,2-3,8-13,16-17H2,1H3,(H,26,27)/q+1