2-(3-methylphenyl)-5-[[4-[(3R)-1-methylpyrrolidin-1-ium-3-yl]piperidin-1-ium-1-yl]methyl]pyrimidine

Systemtic Name: 2-(3-methylphenyl)-5-[[4-[(3R)-1-methylpyrrolidin-1-ium-3-yl]piperidin-1-ium-1-yl]methyl]pyrimidine Openeye Name: 5-[[4-[(3R)-1-methylpyrrolidin-1-ium-3-yl]piperidin-1-ium-1-yl]methyl]-2-(m-tolyl)pyrimidine CAS Name: 2-(3-methylphenyl)-5-[[4-[(3R)-1-methyl-3-pyrrolidin-1-iumyl]-1-piperidin-1-iumyl]methyl]pyrimidine IUPAC Name: 2-(3-methylphenyl)-5-[[4-[(3R)-1-methylpyrrolidin-1-ium-3-yl]piperidin-1-ium-1-yl]methyl]pyrimidine Traditional Name: 5-[[4-[(3R)-1-methylpyrrolidin-1-ium-3-yl]piperidin-1-ium-1-yl]methyl]-2-(m-tolyl)pyrimidine Formula: C22H32N4+2 MolecularWeight: 352.51628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC=C(C=N2)C[NH+]3CCC(CC3)C4CC[NH+](C4)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC=C(C=N2)C[NH+]3CCC(CC3)[C@H]4CC[NH+](C4)C

InChI

InChI=1S/C22H30N4/c1-17-4-3-5-20(12-17)22-23-13-18(14-24-22)15-26-10-7-19(8-11-26)21-6-9-25(2)16-21/h3-5,12-14,19,21H,6-11,15-16H2,1-2H3/p+2/t21-/m0/s1