3-[[4-[(3R)-1-propan-2-ylsulfonylpyrrolidin-3-yl]piperidin-1-ium-1-yl]methyl]pyridine

Systemtic Name: 3-[[4-[(3R)-1-propan-2-ylsulfonylpyrrolidin-3-yl]piperidin-1-ium-1-yl]methyl]pyridine Openeye Name: 3-[[4-[(3R)-1-isopropylsulfonylpyrrolidin-3-yl]piperidin-1-ium-1-yl]methyl]pyridine CAS Name: 3-[[4-[(3R)-1-propan-2-ylsulfonyl-3-pyrrolidinyl]-1-piperidin-1-iumyl]methyl]pyridine IUPAC Name: 3-[[4-[(3R)-1-propan-2-ylsulfonylpyrrolidin-3-yl]piperidin-1-ium-1-yl]methyl]pyridine Traditional Name: 3-[[4-[(3R)-1-isopropylsulfonylpyrrolidin-3-yl]piperidin-1-ium-1-yl]methyl]pyridine Formula: C18H30N3O2S+ MolecularWeight: 352.5147

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1CCC(C1)C2CC[NH+](CC2)CC3=CN=CC=C3

Isomeric SMILES

CC(C)S(=O)(=O)N1CC[C@@H](C1)C2CC[NH+](CC2)CC3=CN=CC=C3

InChI

InChI=1S/C18H29N3O2S/c1-15(2)24(22,23)21-11-7-18(14-21)17-5-9-20(10-6-17)13-16-4-3-8-19-12-16/h3-4,8,12,15,17-18H,5-7,9-11,13-14H2,1-2H3/p+1/t18-/m0/s1