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

Systemtic Name: 1-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-4-ium-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-4-ium-1-yl]-2-phenyl-ethanone CAS Name: 1-[4-[(1-methyl-2-pyrrolyl)methyl]-1-piperazin-4-iumyl]-2-phenylethanone IUPAC Name: 1-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-4-ium-1-yl]-2-phenylethanone Traditional Name: 1-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-4-ium-1-yl]-2-phenyl-ethanone Formula: C18H24N3O+ MolecularWeight: 298.40266

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C[NH+]2CCN(CC2)C(=O)CC3=CC=CC=C3

Isomeric SMILES

CN1C=CC=C1C[NH+]2CCN(CC2)C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H23N3O/c1-19-9-5-8-17(19)15-20-10-12-21(13-11-20)18(22)14-16-6-3-2-4-7-16/h2-9H,10-15H2,1H3/p+1