4-[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimidine

Systemtic Name: 4-[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimidine Openeye Name: 4-[(3S)-1-[(5-methyl-2-furyl)methyl]-3-piperidyl]-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimidine CAS Name: 4-[(3S)-1-[(5-methyl-2-furanyl)methyl]-3-piperidinyl]-2-[2-(1-pyrrolidin-1-iumyl)ethylthio]pyrimidine IUPAC Name: 4-[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimidine Traditional Name: 4-[(3S)-1-[(5-methyl-2-furyl)methyl]-3-piperidyl]-2-(2-pyrrolidin-1-ium-1-ylethylthio)pyrimidine Formula: C21H31N4OS+ MolecularWeight: 387.56204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN2CCCC(C2)C3=NC(=NC=C3)SCC[NH+]4CCCC4

Isomeric SMILES

CC1=CC=C(O1)CN2CCC[C@@H](C2)C3=NC(=NC=C3)SCC[NH+]4CCCC4

InChI

InChI=1S/C21H30N4OS/c1-17-6-7-19(26-17)16-25-12-4-5-18(15-25)20-8-9-22-21(23-20)27-14-13-24-10-2-3-11-24/h6-9,18H,2-5,10-16H2,1H3/p+1/t18-/m0/s1