[4-(3-methylphenyl)piperazin-1-yl]-[(2R,4S)-4-oxidanylpyrrolidin-1-ium-2-yl]methanone

Systemtic Name: [4-(3-methylphenyl)piperazin-1-yl]-[(2R,4S)-4-oxidanylpyrrolidin-1-ium-2-yl]methanone Openeye Name: [(2R,4S)-4-hydroxypyrrolidin-1-ium-2-yl]-[4-(m-tolyl)piperazin-1-yl]methanone CAS Name: [(2R,4S)-4-hydroxy-2-pyrrolidin-1-iumyl]-[4-(3-methylphenyl)-1-piperazinyl]methanone IUPAC Name: [(2R,4S)-4-hydroxypyrrolidin-1-ium-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone Traditional Name: [(2R,4S)-4-hydroxypyrrolidin-1-ium-2-yl]-[4-(m-tolyl)piperazino]methanone Formula: C16H24N3O2+ MolecularWeight: 290.38066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C3CC(C[NH2+]3)O

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)[C@H]3C[C@@H](C[NH2+]3)O

InChI

InChI=1S/C16H23N3O2/c1-12-3-2-4-13(9-12)18-5-7-19(8-6-18)16(21)15-10-14(20)11-17-15/h2-4,9,14-15,17,20H,5-8,10-11H2,1H3/p+1/t14-,15+/m0/s1