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

Systemtic Name: 1-(3-methylphenyl)-4-[[(2R)-pyrrolidin-1-ium-2-yl]methyl]piperazin-4-ium Openeye Name: 1-(m-tolyl)-4-[[(2R)-pyrrolidin-1-ium-2-yl]methyl]piperazin-4-ium CAS Name: 1-(3-methylphenyl)-4-[[(2R)-2-pyrrolidin-1-iumyl]methyl]piperazin-4-ium IUPAC Name: 1-(3-methylphenyl)-4-[[(2R)-pyrrolidin-1-ium-2-yl]methyl]piperazin-4-ium Traditional Name: 1-(m-tolyl)-4-[[(2R)-pyrrolidin-1-ium-2-yl]methyl]piperazin-4-ium Formula: C16H27N3+2 MolecularWeight: 261.40568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC3CCC[NH2+]3

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)C[C@H]3CCC[NH2+]3

InChI

InChI=1S/C16H25N3/c1-14-4-2-6-16(12-14)19-10-8-18(9-11-19)13-15-5-3-7-17-15/h2,4,6,12,15,17H,3,5,7-11,13H2,1H3/p+2/t15-/m1/s1