(2S)-2-(4-methylphenyl)-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-yl-ethanone

Systemtic Name: (2S)-2-(4-methylphenyl)-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-yl-ethanone Openeye Name: (2S)-1-piperazin-1-yl-2-(p-tolyl)-2-pyrrolidin-1-ium-1-yl-ethanone CAS Name: (2S)-2-(4-methylphenyl)-1-(1-piperazinyl)-2-(1-pyrrolidin-1-iumyl)ethanone IUPAC Name: (2S)-2-(4-methylphenyl)-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-ylethanone Traditional Name: (2S)-1-piperazino-2-(p-tolyl)-2-pyrrolidin-1-ium-1-yl-ethanone Formula: C17H26N3O+ MolecularWeight: 288.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)N2CCNCC2)[NH+]3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C(=O)N2CCNCC2)[NH+]3CCCC3

InChI

InChI=1S/C17H25N3O/c1-14-4-6-15(7-5-14)16(19-10-2-3-11-19)17(21)20-12-8-18-9-13-20/h4-7,16,18H,2-3,8-13H2,1H3/p+1/t16-/m0/s1