2-[2-(1,3-benzothiazol-2-yl)-1-butyl-5,6-dihydrobenzo[h]quinolin-1-ium-4-yl]-5-methoxy-benzenesulfonic acid

Systemtic Name: 2-[2-(1,3-benzothiazol-2-yl)-1-butyl-5,6-dihydrobenzo[h]quinolin-1-ium-4-yl]-5-methoxy-benzenesulfonic acid Openeye Name: 2-[2-(1,3-benzothiazol-2-yl)-1-butyl-5,6-dihydrobenzo[h]quinolin-1-ium-4-yl]-5-methoxy-benzenesulfonic acid CAS Name: 2-[2-(1,3-benzothiazol-2-yl)-1-butyl-5,6-dihydrobenzo[h]quinolin-1-ium-4-yl]-5-methoxybenzenesulfonic acid IUPAC Name: 2-[2-(1,3-benzothiazol-2-yl)-1-butyl-5,6-dihydrobenzo[h]quinolin-1-ium-4-yl]-5-methoxybenzenesulfonic acid Traditional Name: 2-[2-(1,3-benzothiazol-2-yl)-1-butyl-5,6-dihydrobenzo[h]quinolin-1-ium-4-yl]-5-methoxy-besylic acid Formula: C31H29N2O4S2+ MolecularWeight: 557.70296

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C=C(C2=C1C3=CC=CC=C3CC2)C4=C(C=C(C=C4)OC)S(=O)(=O)O)C5=NC6=CC=CC=C6S5

Isomeric SMILES

CCCC[N+]1=C(C=C(C2=C1C3=CC=CC=C3CC2)C4=C(C=C(C=C4)OC)S(=O)(=O)O)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C31H28N2O4S2/c1-3-4-17-33-27(31-32-26-11-7-8-12-28(26)38-31)19-25(23-16-14-21(37-2)18-29(23)39(34,35)36)24-15-13-20-9-5-6-10-22(20)30(24)33/h5-12,14,16,18-19H,3-4,13,15,17H2,1-2H3/p+1