1-(7-chloranylquinolin-1-ium-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-(7-chloranylquinolin-1-ium-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide Openeye Name: 1-(7-chloroquinolin-1-ium-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide CAS Name: 1-(7-chloro-4-quinolin-1-iumyl)-N-(4-sulfamoylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-(7-chloroquinolin-1-ium-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide Traditional Name: 1-(7-chloroquinolin-1-ium-4-yl)-N-(4-sulfamoylphenyl)isonipecotamide Formula: C21H22ClN4O3S+ MolecularWeight: 445.94238

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)C3=C4C=CC(=CC4=[NH+]C=C3)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)C3=C4C=CC(=CC4=[NH+]C=C3)Cl

InChI

InChI=1S/C21H21ClN4O3S/c22-15-1-6-18-19(13-15)24-10-7-20(18)26-11-8-14(9-12-26)21(27)25-16-2-4-17(5-3-16)30(23,28)29/h1-7,10,13-14H,8-9,11-12H2,(H,25,27)(H2,23,28,29)/p+1