4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-nitro-benzenesulfonamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-nitro-benzenesulfonamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(4-morpholin-4-iumyl)propyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-nitrobenzenesulfonamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-nitro-benzenesulfonamide Formula: C22H29N4O5S+ MolecularWeight: 461.55446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O5S/c27-26(28)22-16-20(32(29,30)23-9-3-10-24-12-14-31-15-13-24)6-7-21(22)25-11-8-18-4-1-2-5-19(18)17-25/h1-2,4-7,16,23H,3,8-15,17H2/p+1