1-(4-methoxy-3-methyl-phenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperidine-4-carboxamide

Systemtic Name: 1-(4-methoxy-3-methyl-phenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperidine-4-carboxamide Openeye Name: 1-(4-methoxy-3-methyl-phenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperidine-4-carboxamide CAS Name: 1-(4-methoxy-3-methylphenyl)sulfonyl-N-[2-(4-morpholin-4-iumyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperidine-4-carboxamide Traditional Name: 1-(4-methoxy-3-methyl-phenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)isonipecotamide Formula: C20H32N3O5S+ MolecularWeight: 426.55018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC[NH+]3CCOCC3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC[NH+]3CCOCC3)OC

InChI

InChI=1S/C20H31N3O5S/c1-16-15-18(3-4-19(16)27-2)29(25,26)23-8-5-17(6-9-23)20(24)21-7-10-22-11-13-28-14-12-22/h3-4,15,17H,5-14H2,1-2H3,(H,21,24)/p+1