(3S)-N,N-dimethyl-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidine-1-sulfonamide

Systemtic Name: (3S)-N,N-dimethyl-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidine-1-sulfonamide Openeye Name: (3S)-N,N-dimethyl-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidine-1-sulfonamide CAS Name: (3S)-N,N-dimethyl-3-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-1-pyrrolidinesulfonamide IUPAC Name: (3S)-N,N-dimethyl-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidine-1-sulfonamide Traditional Name: (3S)-N,N-dimethyl-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidine-1-sulfonamide Formula: C17H29N4O2S+ MolecularWeight: 353.50276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4O2S/c1-19(2)24(22,23)21-11-7-17(14-21)16-5-9-20(10-6-16)13-15-4-3-8-18-12-15/h3-4,8,12,16-17H,5-7,9-11,13-14H2,1-2H3/p+1/t17-/m1/s1