N-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(2-methyl-5-morpholinosulfonyl-phenyl)acetamide CAS Name: N-[2-methyl-5-(4-morpholinylsulfonyl)phenyl]-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(2-methyl-5-morpholinosulfonyl-phenyl)acetamide Formula: C25H34N3O4S+ MolecularWeight: 472.62016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H33N3O4S/c1-20-7-8-23(33(30,31)28-13-15-32-16-14-28)18-24(20)26-25(29)19-27-11-9-22(10-12-27)17-21-5-3-2-4-6-21/h2-8,18,22H,9-17,19H2,1H3,(H,26,29)/p+1