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

Systemtic Name: [4-butyl-4-[1-(1H-imidazol-5-yl)-2-(3-methylphenyl)ethyl]piperazin-4-ium-1-yl]-naphthalen-1-yl-methanone Openeye Name: [4-butyl-4-[1-(1H-imidazol-5-yl)-2-(m-tolyl)ethyl]piperazin-4-ium-1-yl]-(1-naphthyl)methanone CAS Name: [4-butyl-4-[1-(1H-imidazol-5-yl)-2-(3-methylphenyl)ethyl]-1-piperazin-4-iumyl]-(1-naphthalenyl)methanone IUPAC Name: [4-butyl-4-[1-(1H-imidazol-5-yl)-2-(3-methylphenyl)ethyl]piperazin-4-ium-1-yl]-naphthalen-1-ylmethanone Traditional Name: [4-butyl-4-[1-(1H-imidazol-5-yl)-2-(m-tolyl)ethyl]piperazin-4-ium-1-yl]-(1-naphthyl)methanone Formula: C31H37N4O+ MolecularWeight: 481.65168

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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=CC(=C4)C)C5=CN=CN5

Isomeric SMILES

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

InChI

InChI=1S/C31H37N4O/c1-3-4-17-35(30(29-22-32-23-33-29)21-25-10-7-9-24(2)20-25)18-15-34(16-19-35)31(36)28-14-8-12-26-11-5-6-13-27(26)28/h5-14,20,22-23,30H,3-4,15-19,21H2,1-2H3,(H,32,33)/q+1