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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC[NH+]3CCOCC3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC[C@H](C2)C(=O)NCC[NH+]3CCOCC3)OC

InChI

InChI=1S/C20H31N3O5S/c1-16-14-18(5-6-19(16)27-2)29(25,26)23-8-3-4-17(15-23)20(24)21-7-9-22-10-12-28-13-11-22/h5-6,14,17H,3-4,7-13,15H2,1-2H3,(H,21,24)/p+1/t17-/m1/s1