N-(heptan-4-ylideneamino)-4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]benzamide

Systemtic Name: N-(heptan-4-ylideneamino)-4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]benzamide Openeye Name: 4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]-N-(1-propylbutylideneamino)benzamide CAS Name: N-(heptan-4-ylideneamino)-4-[methyl-(1-methyl-4-piperidin-1-iumyl)sulfamoyl]benzamide IUPAC Name: N-(heptan-4-ylideneamino)-4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]benzamide Traditional Name: 4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]-N-(1-propylbutylideneamino)benzamide Formula: C21H35N4O3S+ MolecularWeight: 423.5926

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=NNC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)C2CC[NH+](CC2)C)CCC

Isomeric SMILES

CCCC(=NNC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)C2CC[NH+](CC2)C)CCC

InChI

InChI=1S/C21H34N4O3S/c1-5-7-18(8-6-2)22-23-21(26)17-9-11-20(12-10-17)29(27,28)25(4)19-13-15-24(3)16-14-19/h9-12,19H,5-8,13-16H2,1-4H3,(H,23,26)/p+1