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

Systemtic Name: 2-[4-[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-1-ium-3-yl]piperidin-1-yl]pyrimidine Openeye Name: 2-[4-[(3R)-1-(o-tolylmethyl)pyrrolidin-1-ium-3-yl]-1-piperidyl]pyrimidine CAS Name: 2-[4-[(3R)-1-[(2-methylphenyl)methyl]-3-pyrrolidin-1-iumyl]-1-piperidinyl]pyrimidine IUPAC Name: 2-[4-[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-1-ium-3-yl]piperidin-1-yl]pyrimidine Traditional Name: 2-[4-[(3R)-1-(2-methylbenzyl)pyrrolidin-1-ium-3-yl]piperidino]pyrimidine Formula: C21H29N4+ MolecularWeight: 337.48176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(C2)C3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CC[C@@H](C2)C3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H28N4/c1-17-5-2-3-6-19(17)15-24-12-7-20(16-24)18-8-13-25(14-9-18)21-22-10-4-11-23-21/h2-6,10-11,18,20H,7-9,12-16H2,1H3/p+1/t20-/m0/s1