(4S)-5,8-dimethoxy-2-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]-3,4-dihydro-1H-isoquinolin-4-ol

Systemtic Name: (4S)-5,8-dimethoxy-2-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]-3,4-dihydro-1H-isoquinolin-4-ol Openeye Name: (4S)-5,8-dimethoxy-2-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]-3,4-dihydro-1H-isoquinolin-4-ol CAS Name: (4S)-5,8-dimethoxy-2-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitrophenyl]-3,4-dihydro-1H-isoquinolin-4-ol IUPAC Name: (4S)-5,8-dimethoxy-2-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitrophenyl]-3,4-dihydro-1H-isoquinolin-4-ol Traditional Name: (4S)-5,8-dimethoxy-2-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]-3,4-dihydro-1H-isoquinolin-4-ol Formula: C22H29N4O7S+ MolecularWeight: 493.55326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CC(C4=C(C=CC(=C4C3)OC)OC)O)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3C[C@H](C4=C(C=CC(=C4C3)OC)OC)O)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O7S/c1-23-8-10-25(11-9-23)34(30,31)15-4-5-17(18(12-15)26(28)29)24-13-16-20(32-2)6-7-21(33-3)22(16)19(27)14-24/h4-7,12,19,27H,8-11,13-14H2,1-3H3/p+1/t19-/m1/s1