1-(3,4-dimethylphenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperidine-4-carboxamide

Systemtic Name: 1-(3,4-dimethylphenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperidine-4-carboxamide Openeye Name: 1-(3,4-dimethylphenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperidine-4-carboxamide CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[2-(4-morpholin-4-iumyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dimethylphenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperidine-4-carboxamide Traditional Name: 1-(3,4-dimethylphenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)isonipecotamide Formula: C20H32N3O4S+ MolecularWeight: 410.55078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O4S/c1-16-3-4-19(15-17(16)2)28(25,26)23-8-5-18(6-9-23)20(24)21-7-10-22-11-13-27-14-12-22/h3-4,15,18H,5-14H2,1-2H3,(H,21,24)/p+1