(3S)-1-(4-methoxyphenyl)sulfonyl-N-(1-propylpiperidin-1-ium-4-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-methoxyphenyl)sulfonyl-N-(1-propylpiperidin-1-ium-4-yl)piperidine-3-carboxamide Openeye Name: (3S)-1-(4-methoxyphenyl)sulfonyl-N-(1-propylpiperidin-1-ium-4-yl)piperidine-3-carboxamide CAS Name: (3S)-1-(4-methoxyphenyl)sulfonyl-N-(1-propyl-4-piperidin-1-iumyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-methoxyphenyl)sulfonyl-N-(1-propylpiperidin-1-ium-4-yl)piperidine-3-carboxamide Traditional Name: (3S)-1-(4-methoxyphenyl)sulfonyl-N-(1-propylpiperidin-1-ium-4-yl)nipecotamide Formula: C21H34N3O4S+ MolecularWeight: 424.57736

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H33N3O4S/c1-3-12-23-14-10-18(11-15-23)22-21(25)17-5-4-13-24(16-17)29(26,27)20-8-6-19(28-2)7-9-20/h6-9,17-18H,3-5,10-16H2,1-2H3,(H,22,25)/p+1/t17-/m0/s1