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

Systemtic Name: 1-(4-ethoxyphenyl)sulfonyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidine-4-carboxamide Openeye Name: 1-(4-ethoxyphenyl)sulfonyl-N-(1-isopropylpiperidin-1-ium-4-yl)piperidine-4-carboxamide CAS Name: 1-(4-ethoxyphenyl)sulfonyl-N-(1-propan-2-yl-4-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(4-ethoxyphenyl)sulfonyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidine-4-carboxamide Traditional Name: N-(1-isopropylpiperidin-1-ium-4-yl)-1-p-phenetylsulfonyl-isonipecotamide Formula: C22H36N3O4S+ MolecularWeight: 438.60394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CC[NH+](CC3)C(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CC[NH+](CC3)C(C)C

InChI

InChI=1S/C22H35N3O4S/c1-4-29-20-5-7-21(8-6-20)30(27,28)25-15-9-18(10-16-25)22(26)23-19-11-13-24(14-12-19)17(2)3/h5-8,17-19H,4,9-16H2,1-3H3,(H,23,26)/p+1