1-(4-methylphenyl)sulfonyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidine-4-carboxamide

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidine-4-carboxamide Openeye Name: N-(1-isopropylpiperidin-1-ium-4-yl)-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-(1-propan-2-yl-4-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidine-4-carboxamide Traditional Name: N-(1-isopropylpiperidin-1-ium-4-yl)-1-tosyl-isonipecotamide Formula: C21H34N3O3S+ MolecularWeight: 408.57796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CC[NH+](CC3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CC[NH+](CC3)C(C)C

InChI

InChI=1S/C21H33N3O3S/c1-16(2)23-12-10-19(11-13-23)22-21(25)18-8-14-24(15-9-18)28(26,27)20-6-4-17(3)5-7-20/h4-7,16,18-19H,8-15H2,1-3H3,(H,22,25)/p+1