N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-1-tosyl-isonipecotamide Formula: C21H34N3O4S+ MolecularWeight: 424.57736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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