N-(1-methylpiperidin-1-ium-4-yl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(1-methylpiperidin-1-ium-4-yl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(1-methylpiperidin-1-ium-4-yl)-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(1-methyl-4-piperidin-1-iumyl)-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(1-methylpiperidin-1-ium-4-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: 3-(3-ketopiperazino)sulfonyl-N-(1-methylpiperidin-1-ium-4-yl)benzamide Formula: C17H25N4O4S+ MolecularWeight: 381.4698

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

C[NH+]1CCC(CC1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C17H24N4O4S/c1-20-8-5-14(6-9-20)19-17(23)13-3-2-4-15(11-13)26(24,25)21-10-7-18-16(22)12-21/h2-4,11,14H,5-10,12H2,1H3,(H,18,22)(H,19,23)/p+1