(3S)-1-[5-[ethyl(phenyl)sulfamoyl]pyridin-1-ium-2-yl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-[5-[ethyl(phenyl)sulfamoyl]pyridin-1-ium-2-yl]piperidine-3-carboxamide Openeye Name: (3S)-1-[5-[ethyl(phenyl)sulfamoyl]pyridin-1-ium-2-yl]piperidine-3-carboxamide CAS Name: (3S)-1-[5-[ethyl(phenyl)sulfamoyl]-2-pyridin-1-iumyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-[5-[ethyl(phenyl)sulfamoyl]pyridin-1-ium-2-yl]piperidine-3-carboxamide Traditional Name: (3S)-1-[5-[ethyl(phenyl)sulfamoyl]pyridin-1-ium-2-yl]nipecotamide Formula: C19H25N4O3S+ MolecularWeight: 389.4918

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCCC(C3)C(=O)N

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCC[C@@H](C3)C(=O)N

InChI

InChI=1S/C19H24N4O3S/c1-2-23(16-8-4-3-5-9-16)27(25,26)17-10-11-18(21-13-17)22-12-6-7-15(14-22)19(20)24/h3-5,8-11,13,15H,2,6-7,12,14H2,1H3,(H2,20,24)/p+1/t15-/m0/s1