[4-(2,3-dimethylphenyl)piperazin-1-yl]-[(2S)-pyrrolidin-1-ium-2-yl]methanone

Systemtic Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[(2S)-pyrrolidin-1-ium-2-yl]methanone Openeye Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[(2S)-pyrrolidin-1-ium-2-yl]methanone CAS Name: [4-(2,3-dimethylphenyl)-1-piperazinyl]-[(2S)-2-pyrrolidin-1-iumyl]methanone IUPAC Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[(2S)-pyrrolidin-1-ium-2-yl]methanone Traditional Name: [4-(2,3-dimethylphenyl)piperazino]-[(2S)-pyrrolidin-1-ium-2-yl]methanone Formula: C17H26N3O+ MolecularWeight: 288.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CCC[NH2+]3)C

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O/c1-13-5-3-7-16(14(13)2)19-9-11-20(12-10-19)17(21)15-6-4-8-18-15/h3,5,7,15,18H,4,6,8-12H2,1-2H3/p+1/t15-/m0/s1