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

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidine-4-carboxamide Openeye Name: N-(1-isopropylpiperidin-1-ium-4-yl)-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: 1-(4-methoxyphenyl)sulfonyl-N-(1-propan-2-yl-4-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidine-4-carboxamide Traditional Name: N-(1-isopropylpiperidin-1-ium-4-yl)-1-(4-methoxyphenyl)sulfonyl-isonipecotamide Formula: C21H34N3O4S+ MolecularWeight: 424.57736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O4S/c1-16(2)23-12-10-18(11-13-23)22-21(25)17-8-14-24(15-9-17)29(26,27)20-6-4-19(28-3)5-7-20/h4-7,16-18H,8-15H2,1-3H3,(H,22,25)/p+1