4-methyl-3-morpholin-4-ylsulfonyl-N-(3-piperidin-1-ium-1-ylpropyl)benzamide

Systemtic Name: 4-methyl-3-morpholin-4-ylsulfonyl-N-(3-piperidin-1-ium-1-ylpropyl)benzamide Openeye Name: 4-methyl-3-morpholinosulfonyl-N-(3-piperidin-1-ium-1-ylpropyl)benzamide CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)-N-[3-(1-piperidin-1-iumyl)propyl]benzamide IUPAC Name: 4-methyl-3-morpholin-4-ylsulfonyl-N-(3-piperidin-1-ium-1-ylpropyl)benzamide Traditional Name: 4-methyl-3-morpholinosulfonyl-N-(3-piperidin-1-ium-1-ylpropyl)benzamide Formula: C20H32N3O4S+ MolecularWeight: 410.55078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCC[NH+]2CCCCC2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCC[NH+]2CCCCC2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H31N3O4S/c1-17-6-7-18(16-19(17)28(25,26)23-12-14-27-15-13-23)20(24)21-8-5-11-22-9-3-2-4-10-22/h6-7,16H,2-5,8-15H2,1H3,(H,21,24)/p+1