3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(4-morpholin-4-iumyl)propyl]benzamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Formula: C23H30N3O4S+ MolecularWeight: 444.567

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)NCCC[NH+]4CCOCC4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C23H29N3O4S/c27-23(24-10-4-11-25-13-15-30-16-14-25)20-7-3-8-22(17-20)31(28,29)26-12-9-19-5-1-2-6-21(19)18-26/h1-3,5-8,17H,4,9-16,18H2,(H,24,27)/p+1