2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone Openeye Name: 2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]-1-[4-(m-tolyl)piperazin-1-yl]ethanone CAS Name: 2-[(2S)-2-(4-methoxyphenyl)-1-pyrrolidin-1-iumyl]-1-[4-(3-methylphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]-1-[4-(m-tolyl)piperazino]ethanone Formula: C24H32N3O2+ MolecularWeight: 394.52978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C[NH+]3CCCC3C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C[NH+]3CCC[C@H]3C4=CC=C(C=C4)OC

InChI

InChI=1S/C24H31N3O2/c1-19-5-3-6-21(17-19)25-13-15-26(16-14-25)24(28)18-27-12-4-7-23(27)20-8-10-22(29-2)11-9-20/h3,5-6,8-11,17,23H,4,7,12-16,18H2,1-2H3/p+1/t23-/m0/s1