N-(1-ethylpiperidin-1-ium-4-yl)-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(1-ethylpiperidin-1-ium-4-yl)-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1-ethylpiperidin-1-ium-4-yl)-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(1-ethyl-4-piperidin-1-iumyl)-1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1-ethylpiperidin-1-ium-4-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1-ethylpiperidin-1-ium-4-yl)-1-(4-methoxyphenyl)sulfonyl-isonipecotamide Formula: C20H32N3O4S+ MolecularWeight: 410.55078

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC[NH+]1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H31N3O4S/c1-3-22-12-10-17(11-13-22)21-20(24)16-8-14-23(15-9-16)28(25,26)19-6-4-18(27-2)5-7-19/h4-7,16-17H,3,8-15H2,1-2H3,(H,21,24)/p+1