3-chloranyl-4-methoxy-N-[(1-propan-2-ylpiperidin-1-ium-4-yl)methyl]benzenesulfonamide

Systemtic Name: 3-chloranyl-4-methoxy-N-[(1-propan-2-ylpiperidin-1-ium-4-yl)methyl]benzenesulfonamide Openeye Name: 3-chloro-N-[(1-isopropylpiperidin-1-ium-4-yl)methyl]-4-methoxy-benzenesulfonamide CAS Name: 3-chloro-4-methoxy-N-[(1-propan-2-yl-4-piperidin-1-iumyl)methyl]benzenesulfonamide IUPAC Name: 3-chloro-4-methoxy-N-[(1-propan-2-ylpiperidin-1-ium-4-yl)methyl]benzenesulfonamide Traditional Name: 3-chloro-N-[(1-isopropylpiperidin-1-ium-4-yl)methyl]-4-methoxy-benzenesulfonamide Formula: C16H26ClN2O3S+ MolecularWeight: 361.90724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)CNS(=O)(=O)C2=CC(=C(C=C2)OC)Cl

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)CNS(=O)(=O)C2=CC(=C(C=C2)OC)Cl

InChI

InChI=1S/C16H25ClN2O3S/c1-12(2)19-8-6-13(7-9-19)11-18-23(20,21)14-4-5-16(22-3)15(17)10-14/h4-5,10,12-13,18H,6-9,11H2,1-3H3/p+1