N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-4-ethoxy-3-methyl-benzenesulfonamide

Systemtic Name: N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-4-ethoxy-3-methyl-benzenesulfonamide Openeye Name: N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-4-ethoxy-3-methyl-benzenesulfonamide CAS Name: N-[(1-cyclopentyl-4-piperidin-1-iumyl)methyl]-4-ethoxy-3-methylbenzenesulfonamide IUPAC Name: N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-4-ethoxy-3-methylbenzenesulfonamide Traditional Name: N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-4-ethoxy-3-methyl-benzenesulfonamide Formula: C20H33N2O3S+ MolecularWeight: 381.55262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)NCC2CC[NH+](CC2)C3CCCC3)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)NCC2CC[NH+](CC2)C3CCCC3)C

InChI

InChI=1S/C20H32N2O3S/c1-3-25-20-9-8-19(14-16(20)2)26(23,24)21-15-17-10-12-22(13-11-17)18-6-4-5-7-18/h8-9,14,17-18,21H,3-7,10-13,15H2,1-2H3/p+1