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

Systemtic Name: 1-[(4-methylphenyl)methyl]-4-[[(2R)-pyrrolidin-1-ium-2-yl]methyl]piperazin-1-ium Openeye Name: 1-(p-tolylmethyl)-4-[[(2R)-pyrrolidin-1-ium-2-yl]methyl]piperazin-1-ium CAS Name: 1-[(4-methylphenyl)methyl]-4-[[(2R)-2-pyrrolidin-1-iumyl]methyl]piperazin-1-ium IUPAC Name: 1-[(4-methylphenyl)methyl]-4-[[(2R)-pyrrolidin-1-ium-2-yl]methyl]piperazin-1-ium Traditional Name: 1-(4-methylbenzyl)-4-[[(2R)-pyrrolidin-1-ium-2-yl]methyl]piperazin-1-ium Formula: C17H29N3+2 MolecularWeight: 275.43226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)CC3CCC[NH2+]3

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)C[C@H]3CCC[NH2+]3

InChI

InChI=1S/C17H27N3/c1-15-4-6-16(7-5-15)13-19-9-11-20(12-10-19)14-17-3-2-8-18-17/h4-7,17-18H,2-3,8-14H2,1H3/p+2/t17-/m1/s1