2-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: 2-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-5-(1-piperidylsulfonyl)benzamide CAS Name: 2-methyl-N-[3-(4-morpholin-4-iumyl)propyl]-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: 2-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-5-piperidin-1-ylsulfonylbenzamide Traditional Name: 2-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-5-piperidinosulfonyl-benzamide Formula: C20H32N3O4S+ MolecularWeight: 410.55078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCCC[NH+]3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCCC[NH+]3CCOCC3

InChI

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