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

Systemtic Name: 4-[[5-[2-(1-butyl-4-naphthalen-1-ylcarbonyl-piperazin-1-ium-1-yl)-2-oxidanylidene-ethyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[2-[1-butyl-4-(naphthalene-1-carbonyl)piperazin-1-ium-1-yl]-2-oxo-ethyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[2-[1-butyl-4-[1-naphthalenyl(oxo)methyl]-1-piperazin-1-iumyl]-2-oxoethyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[2-[1-butyl-4-(naphthalene-1-carbonyl)piperazin-1-ium-1-yl]-2-oxoethyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[2-[1-butyl-4-(1-naphthoyl)piperazin-1-ium-1-yl]-2-keto-ethyl]imidazol-1-yl]methyl]benzonitrile Formula: C32H34N5O2+ MolecularWeight: 520.64466

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCN(CC1)C(=O)C2=CC=CC3=CC=CC=C32)C(=O)CC4=CN=CN4CC5=CC=C(C=C5)C#N

Isomeric SMILES

CCCC[N+]1(CCN(CC1)C(=O)C2=CC=CC3=CC=CC=C32)C(=O)CC4=CN=CN4CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C32H34N5O2/c1-2-3-17-37(31(38)20-28-22-34-24-36(28)23-26-13-11-25(21-33)12-14-26)18-15-35(16-19-37)32(39)30-10-6-8-27-7-4-5-9-29(27)30/h4-14,22,24H,2-3,15-20,23H2,1H3/q+1