1-(4-methoxyphenyl)sulfonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-(4-methoxyphenyl)sulfonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-(4-methoxyphenyl)sulfonyl-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C18H28N3O4S+ MolecularWeight: 382.49762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(C(=O)N)[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(C(=O)N)[NH+]3CCCCC3

InChI

InChI=1S/C18H27N3O4S/c1-25-15-5-7-16(8-6-15)26(23,24)21-13-9-18(10-14-21,17(19)22)20-11-3-2-4-12-20/h5-8H,2-4,9-14H2,1H3,(H2,19,22)/p+1