1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-[4-[(4-methoxyphenyl)methyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-p-anisylpiperazin-1-ium-1-yl)ethanone Formula: C23H32N3O2+ MolecularWeight: 382.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)C[NH+]3CCN(CC3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)C[NH+]3CCN(CC3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C23H31N3O2/c1-17-14-22(18(2)26(17)20-6-7-20)23(27)16-25-12-10-24(11-13-25)15-19-4-8-21(28-3)9-5-19/h4-5,8-9,14,20H,6-7,10-13,15-16H2,1-3H3/p+1