3-[[4-[(3R)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-1-ium-3-yl]piperidin-1-ium-1-yl]methyl]pyridine

Systemtic Name: 3-[[4-[(3R)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-1-ium-3-yl]piperidin-1-ium-1-yl]methyl]pyridine Openeye Name: 3-[[4-[(3R)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-1-ium-3-yl]piperidin-1-ium-1-yl]methyl]pyridine CAS Name: 3-[[4-[(3R)-1-[[4-(methylthio)phenyl]methyl]-3-pyrrolidin-1-iumyl]-1-piperidin-1-iumyl]methyl]pyridine IUPAC Name: 3-[[4-[(3R)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-1-ium-3-yl]piperidin-1-ium-1-yl]methyl]pyridine Traditional Name: 3-[[4-[(3R)-1-[4-(methylthio)benzyl]pyrrolidin-1-ium-3-yl]piperidin-1-ium-1-yl]methyl]pyridine Formula: C23H33N3S+2 MolecularWeight: 383.59322

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CCC(C2)C3CC[NH+](CC3)CC4=CN=CC=C4

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CC[C@@H](C2)C3CC[NH+](CC3)CC4=CN=CC=C4

InChI

InChI=1S/C23H31N3S/c1-27-23-6-4-19(5-7-23)16-26-14-10-22(18-26)21-8-12-25(13-9-21)17-20-3-2-11-24-15-20/h2-7,11,15,21-22H,8-10,12-14,16-18H2,1H3/p+2/t22-/m0/s1