[4-(1H-imidazol-2-yl)-1-methyl-3-(phenylmethyl)piperazin-1-ium-1-yl]-naphthalen-1-yl-methanone

Systemtic Name: [4-(1H-imidazol-2-yl)-1-methyl-3-(phenylmethyl)piperazin-1-ium-1-yl]-naphthalen-1-yl-methanone Openeye Name: [3-benzyl-4-(1H-imidazol-2-yl)-1-methyl-piperazin-1-ium-1-yl]-(1-naphthyl)methanone CAS Name: [4-(1H-imidazol-2-yl)-1-methyl-3-(phenylmethyl)-1-piperazin-1-iumyl]-(1-naphthalenyl)methanone IUPAC Name: [3-benzyl-4-(1H-imidazol-2-yl)-1-methylpiperazin-1-ium-1-yl]-naphthalen-1-ylmethanone Traditional Name: [3-benzyl-4-(1H-imidazol-2-yl)-1-methyl-piperazin-1-ium-1-yl]-(1-naphthyl)methanone Formula: C26H27N4O+ MolecularWeight: 411.51878

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(C(C1)CC2=CC=CC=C2)C3=NC=CN3)C(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

C[N+]1(CCN(C(C1)CC2=CC=CC=C2)C3=NC=CN3)C(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C26H27N4O/c1-30(25(31)24-13-7-11-21-10-5-6-12-23(21)24)17-16-29(26-27-14-15-28-26)22(19-30)18-20-8-3-2-4-9-20/h2-15,22H,16-19H2,1H3,(H,27,28)/q+1