N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-3-piperidinosulfonyl-benzamide Formula: C20H32N3O4S+ MolecularWeight: 410.55078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCC2)[NH+]3CCOCC3

Isomeric SMILES

CC(C)(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCC2)[NH+]3CCOCC3

InChI

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