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

Systemtic Name: 3,4-dimethyl-N-[(1-propan-2-ylpiperidin-1-ium-4-yl)methyl]benzenesulfonamide Openeye Name: N-[(1-isopropylpiperidin-1-ium-4-yl)methyl]-3,4-dimethyl-benzenesulfonamide CAS Name: 3,4-dimethyl-N-[(1-propan-2-yl-4-piperidin-1-iumyl)methyl]benzenesulfonamide IUPAC Name: 3,4-dimethyl-N-[(1-propan-2-ylpiperidin-1-ium-4-yl)methyl]benzenesulfonamide Traditional Name: N-[(1-isopropylpiperidin-1-ium-4-yl)methyl]-3,4-dimethyl-benzenesulfonamide Formula: C17H29N2O2S+ MolecularWeight: 325.48936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC2CC[NH+](CC2)C(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCC2CC[NH+](CC2)C(C)C)C

InChI

InChI=1S/C17H28N2O2S/c1-13(2)19-9-7-16(8-10-19)12-18-22(20,21)17-6-5-14(3)15(4)11-17/h5-6,11,13,16,18H,7-10,12H2,1-4H3/p+1