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

Systemtic Name: 2-[4-[(3R)-1-(3-methylsulfanylpropyl)pyrrolidin-1-ium-3-yl]piperidin-1-yl]pyrimidine Openeye Name: 2-[4-[(3R)-1-(3-methylsulfanylpropyl)pyrrolidin-1-ium-3-yl]-1-piperidyl]pyrimidine CAS Name: 2-[4-[(3R)-1-[3-(methylthio)propyl]-3-pyrrolidin-1-iumyl]-1-piperidinyl]pyrimidine IUPAC Name: 2-[4-[(3R)-1-(3-methylsulfanylpropyl)pyrrolidin-1-ium-3-yl]piperidin-1-yl]pyrimidine Traditional Name: 2-[4-[(3R)-1-[3-(methylthio)propyl]pyrrolidin-1-ium-3-yl]piperidino]pyrimidine Formula: C17H29N4S+ MolecularWeight: 321.50396

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC[NH+]1CCC(C1)C2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CSCCC[NH+]1CC[C@@H](C1)C2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C17H28N4S/c1-22-13-3-9-20-10-4-16(14-20)15-5-11-21(12-6-15)17-18-7-2-8-19-17/h2,7-8,15-16H,3-6,9-14H2,1H3/p+1/t16-/m0/s1