4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzamide Formula: C26H29N4O4S+ MolecularWeight: 493.59786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NCC4=C[NH+]=C(C=C4)N5CCOCC5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NCC4=C[NH+]=C(C=C4)N5CCOCC5

InChI

InChI=1S/C26H28N4O4S/c31-26(28-18-20-5-10-25(27-17-20)29-13-15-34-16-14-29)22-6-8-24(9-7-22)35(32,33)30-12-11-21-3-1-2-4-23(21)19-30/h1-10,17H,11-16,18-19H2,(H,28,31)/p+1