4-[2-(1-butyl-4-naphthalen-1-ylcarbonyl-piperazin-1-ium-1-yl)-2-(1H-imidazol-5-yl)ethyl]benzenecarbonitrile

Systemtic Name: 4-[2-(1-butyl-4-naphthalen-1-ylcarbonyl-piperazin-1-ium-1-yl)-2-(1H-imidazol-5-yl)ethyl]benzenecarbonitrile Openeye Name: 4-[2-[1-butyl-4-(naphthalene-1-carbonyl)piperazin-1-ium-1-yl]-2-(1H-imidazol-5-yl)ethyl]benzonitrile CAS Name: 4-[2-[1-butyl-4-[1-naphthalenyl(oxo)methyl]-1-piperazin-1-iumyl]-2-(1H-imidazol-5-yl)ethyl]benzonitrile IUPAC Name: 4-[2-[1-butyl-4-(naphthalene-1-carbonyl)piperazin-1-ium-1-yl]-2-(1H-imidazol-5-yl)ethyl]benzonitrile Traditional Name: 4-[2-[1-butyl-4-(1-naphthoyl)piperazin-1-ium-1-yl]-2-(1H-imidazol-5-yl)ethyl]benzonitrile Formula: C31H34N5O+ MolecularWeight: 492.63456

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCN(CC1)C(=O)C2=CC=CC3=CC=CC=C32)C(CC4=CC=C(C=C4)C#N)C5=CN=CN5

Isomeric SMILES

CCCC[N+]1(CCN(CC1)C(=O)C2=CC=CC3=CC=CC=C32)C(CC4=CC=C(C=C4)C#N)C5=CN=CN5

InChI

InChI=1S/C31H34N5O/c1-2-3-17-36(30(29-22-33-23-34-29)20-24-11-13-25(21-32)14-12-24)18-15-35(16-19-36)31(37)28-10-6-8-26-7-4-5-9-27(26)28/h4-14,22-23,30H,2-3,15-20H2,1H3,(H,33,34)/q+1