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

Systemtic Name: 1-(3,4-dimethylphenyl)sulfonyl-N-(3-morpholin-4-ium-4-ylpropyl)piperidine-4-carboxamide Openeye Name: 1-(3,4-dimethylphenyl)sulfonyl-N-(3-morpholin-4-ium-4-ylpropyl)piperidine-4-carboxamide CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[3-(4-morpholin-4-iumyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dimethylphenyl)sulfonyl-N-(3-morpholin-4-ium-4-ylpropyl)piperidine-4-carboxamide Traditional Name: 1-(3,4-dimethylphenyl)sulfonyl-N-(3-morpholin-4-ium-4-ylpropyl)isonipecotamide Formula: C21H34N3O4S+ MolecularWeight: 424.57736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O4S/c1-17-4-5-20(16-18(17)2)29(26,27)24-10-6-19(7-11-24)21(25)22-8-3-9-23-12-14-28-15-13-23/h4-5,16,19H,3,6-15H2,1-2H3,(H,22,25)/p+1