4-propan-2-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide

Systemtic Name: 4-propan-2-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide Openeye Name: 4-isopropyl-N-[[1-(2-thienylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide CAS Name: 4-propan-2-yl-N-[[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]methyl]benzenesulfonamide IUPAC Name: 4-propan-2-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide Traditional Name: 4-isopropyl-N-[[1-(2-thenyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide Formula: C20H29N2O2S2+ MolecularWeight: 393.58646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C20H28N2O2S2/c1-16(2)18-5-7-20(8-6-18)26(23,24)21-14-17-9-11-22(12-10-17)15-19-4-3-13-25-19/h3-8,13,16-17,21H,9-12,14-15H2,1-2H3/p+1