2-methyl-5-[[(3R)-3-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidin-1-ium-1-yl]methyl]pyrimidine

Systemtic Name: 2-methyl-5-[[(3R)-3-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidin-1-ium-1-yl]methyl]pyrimidine Openeye Name: 2-methyl-5-[[(3R)-3-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidin-1-ium-1-yl]methyl]pyrimidine CAS Name: 2-methyl-5-[[(3R)-3-(1-phenethyl-4-piperidin-1-iumyl)-1-pyrrolidin-1-iumyl]methyl]pyrimidine IUPAC Name: 2-methyl-5-[[(3R)-3-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidin-1-ium-1-yl]methyl]pyrimidine Traditional Name: 2-methyl-5-[[(3R)-3-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidin-1-ium-1-yl]methyl]pyrimidine Formula: C23H34N4+2 MolecularWeight: 366.54286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=N1)C[NH+]2CCC(C2)C3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=NC=C(C=N1)C[NH+]2CC[C@@H](C2)C3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H32N4/c1-19-24-15-21(16-25-19)17-27-14-10-23(18-27)22-8-12-26(13-9-22)11-7-20-5-3-2-4-6-20/h2-6,15-16,22-23H,7-14,17-18H2,1H3/p+2/t23-/m0/s1