4-methoxy-N-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]methyl]benzenesulfonamide

Systemtic Name: 4-methoxy-N-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]methyl]benzenesulfonamide Openeye Name: 4-methoxy-N-[[(3S)-1-(4-pyridylmethyl)piperidin-1-ium-3-yl]methyl]benzenesulfonamide CAS Name: 4-methoxy-N-[[(3S)-1-(pyridin-4-ylmethyl)-3-piperidin-1-iumyl]methyl]benzenesulfonamide IUPAC Name: 4-methoxy-N-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]methyl]benzenesulfonamide Traditional Name: 4-methoxy-N-[[(3S)-1-(4-pyridylmethyl)piperidin-1-ium-3-yl]methyl]benzenesulfonamide Formula: C19H26N3O3S+ MolecularWeight: 376.49304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NCC2CCC[NH+](C2)CC3=CC=NC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC[C@H]2CCC[NH+](C2)CC3=CC=NC=C3

InChI

InChI=1S/C19H25N3O3S/c1-25-18-4-6-19(7-5-18)26(23,24)21-13-17-3-2-12-22(15-17)14-16-8-10-20-11-9-16/h4-11,17,21H,2-3,12-15H2,1H3/p+1/t17-/m1/s1