N-(2-morpholin-4-ium-4-ylethyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-morpholin-4-ium-4-ylethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-mesitylsulfonyl-N-(2-morpholin-4-ium-4-ylethyl)isonipecotamide Formula: C21H34N3O4S+ MolecularWeight: 424.57736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O4S/c1-16-14-17(2)20(18(3)15-16)29(26,27)24-7-4-19(5-8-24)21(25)22-6-9-23-10-12-28-13-11-23/h14-15,19H,4-13H2,1-3H3,(H,22,25)/p+1