4-(4-methylpiperidin-1-yl)sulfonyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide

Systemtic Name: 4-(4-methylpiperidin-1-yl)sulfonyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide Openeye Name: 4-[(4-methyl-1-piperidyl)sulfonyl]-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzamide CAS Name: 4-[(4-methyl-1-piperidinyl)sulfonyl]-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]benzamide IUPAC Name: 4-(4-methylpiperidin-1-yl)sulfonyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide Traditional Name: 4-(4-methylpiperidino)sulfonyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzamide Formula: C23H31N4O4S+ MolecularWeight: 459.58164

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

InChI

InChI=1S/C23H30N4O4S/c1-18-8-10-27(11-9-18)32(29,30)21-5-3-20(4-6-21)23(28)25-17-19-2-7-22(24-16-19)26-12-14-31-15-13-26/h2-7,16,18H,8-15,17H2,1H3,(H,25,28)/p+1