[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[(2R)-pyrrolidin-1-ium-2-yl]methanone

Systemtic Name: [4-[(3-methylphenyl)methyl]piperazin-1-yl]-[(2R)-pyrrolidin-1-ium-2-yl]methanone Openeye Name: [4-(m-tolylmethyl)piperazin-1-yl]-[(2R)-pyrrolidin-1-ium-2-yl]methanone CAS Name: [4-[(3-methylphenyl)methyl]-1-piperazinyl]-[(2R)-2-pyrrolidin-1-iumyl]methanone IUPAC Name: [4-[(3-methylphenyl)methyl]piperazin-1-yl]-[(2R)-pyrrolidin-1-ium-2-yl]methanone Traditional Name: [4-(3-methylbenzyl)piperazino]-[(2R)-pyrrolidin-1-ium-2-yl]methanone Formula: C17H26N3O+ MolecularWeight: 288.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3CCC[NH2+]3

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)[C@H]3CCC[NH2+]3

InChI

InChI=1S/C17H25N3O/c1-14-4-2-5-15(12-14)13-19-8-10-20(11-9-19)17(21)16-6-3-7-18-16/h2,4-5,12,16,18H,3,6-11,13H2,1H3/p+1/t16-/m1/s1