[4-(2-methylphenyl)carbonylpiperazin-1-yl]-[(2S)-pyrrolidin-1-ium-2-yl]methanone

Systemtic Name: [4-(2-methylphenyl)carbonylpiperazin-1-yl]-[(2S)-pyrrolidin-1-ium-2-yl]methanone Openeye Name: [4-(2-methylbenzoyl)piperazin-1-yl]-[(2S)-pyrrolidin-1-ium-2-yl]methanone CAS Name: [4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]-[(2S)-2-pyrrolidin-1-iumyl]methanone IUPAC Name: [4-(2-methylbenzoyl)piperazin-1-yl]-[(2S)-pyrrolidin-1-ium-2-yl]methanone Traditional Name: (4-o-toluoylpiperazino)-[(2S)-pyrrolidin-1-ium-2-yl]methanone Formula: C17H24N3O2+ MolecularWeight: 302.39136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C(=O)C3CCC[NH2+]3

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C(=O)[C@@H]3CCC[NH2+]3

InChI

InChI=1S/C17H23N3O2/c1-13-5-2-3-6-14(13)16(21)19-9-11-20(12-10-19)17(22)15-7-4-8-18-15/h2-3,5-6,15,18H,4,7-12H2,1H3/p+1/t15-/m0/s1