1-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-4-ium-1-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-4-ium-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-4-ium-1-yl]-2-phenoxy-ethanone CAS Name: 1-[4-[(1-methyl-2-pyrrolyl)methyl]-1-piperazin-4-iumyl]-2-phenoxyethanone IUPAC Name: 1-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-4-ium-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-4-ium-1-yl]-2-phenoxy-ethanone Formula: C18H24N3O2+ MolecularWeight: 314.40206

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3

Isomeric SMILES

CN1C=CC=C1C[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C18H23N3O2/c1-19-9-5-6-16(19)14-20-10-12-21(13-11-20)18(22)15-23-17-7-3-2-4-8-17/h2-9H,10-15H2,1H3/p+1