[4-butyl-4-[1-(1H-imidazol-5-yl)-4-methyl-pent-3-enyl]piperazin-4-ium-1-yl]-naphthalen-1-yl-methanone

Systemtic Name: [4-butyl-4-[1-(1H-imidazol-5-yl)-4-methyl-pent-3-enyl]piperazin-4-ium-1-yl]-naphthalen-1-yl-methanone Openeye Name: [4-butyl-4-[1-(1H-imidazol-5-yl)-4-methyl-pent-3-enyl]piperazin-4-ium-1-yl]-(1-naphthyl)methanone CAS Name: [4-butyl-4-[1-(1H-imidazol-5-yl)-4-methylpent-3-enyl]-1-piperazin-4-iumyl]-(1-naphthalenyl)methanone IUPAC Name: [4-butyl-4-[1-(1H-imidazol-5-yl)-4-methylpent-3-enyl]piperazin-4-ium-1-yl]-naphthalen-1-ylmethanone Traditional Name: [4-butyl-4-[1-(1H-imidazol-5-yl)-4-methyl-pent-3-enyl]piperazin-4-ium-1-yl]-(1-naphthyl)methanone Formula: C28H37N4O+ MolecularWeight: 445.61958

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCN(CC1)C(=O)C2=CC=CC3=CC=CC=C32)C(CC=C(C)C)C4=CN=CN4

Isomeric SMILES

CCCC[N+]1(CCN(CC1)C(=O)C2=CC=CC3=CC=CC=C32)C(CC=C(C)C)C4=CN=CN4

InChI

InChI=1S/C28H37N4O/c1-4-5-17-32(27(14-13-22(2)3)26-20-29-21-30-26)18-15-31(16-19-32)28(33)25-12-8-10-23-9-6-7-11-24(23)25/h6-13,20-21,27H,4-5,14-19H2,1-3H3,(H,29,30)/q+1