[5-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1-methyl-pyrrol-3-yl]-phenyl-methanone

Systemtic Name: [5-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1-methyl-pyrrol-3-yl]-phenyl-methanone Openeye Name: [5-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1-methyl-pyrrol-3-yl]-phenyl-methanone CAS Name: [5-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-1-methyl-3-pyrrolyl]-phenylmethanone IUPAC Name: [5-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1-methylpyrrol-3-yl]-phenylmethanone Traditional Name: [5-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1-methyl-pyrrol-3-yl]-phenyl-methanone Formula: C24H28N3O2+ MolecularWeight: 390.49802

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC)C(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C=C(C=C1C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H27N3O2/c1-25-17-20(24(28)19-6-4-3-5-7-19)16-22(25)18-26-12-14-27(15-13-26)21-8-10-23(29-2)11-9-21/h3-11,16-17H,12-15,18H2,1-2H3/p+1