1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-pyrrolidin-1-ium-1-ylethyl)piperidine-4-carboxamide

Systemtic Name: 1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-pyrrolidin-1-ium-1-ylethyl)piperidine-4-carboxamide Openeye Name: 1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-pyrrolidin-1-ium-1-ylethyl)piperidine-4-carboxamide CAS Name: 1-(3,4-dimethoxyphenyl)sulfonyl-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-pyrrolidin-1-ium-1-ylethyl)piperidine-4-carboxamide Traditional Name: 1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-pyrrolidin-1-ium-1-ylethyl)isonipecotamide Formula: C20H32N3O5S+ MolecularWeight: 426.55018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC[NH+]3CCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC[NH+]3CCCC3)OC

InChI

InChI=1S/C20H31N3O5S/c1-27-18-6-5-17(15-19(18)28-2)29(25,26)23-12-7-16(8-13-23)20(24)21-9-14-22-10-3-4-11-22/h5-6,15-16H,3-4,7-14H2,1-2H3,(H,21,24)/p+1