1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C19H30N3O5S+ MolecularWeight: 412.5236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O5S/c1-26-16-7-6-15(14-17(16)27-2)28(24,25)22-12-8-19(9-13-22,18(20)23)21-10-4-3-5-11-21/h6-7,14H,3-5,8-13H2,1-2H3,(H2,20,23)/p+1