ethyl 4-[2-[2-[(3-ethoxycarbonyl-6-methoxy-quinolin-1-ium-4-yl)amino]ethyl]benzimidazol-1-yl]-6-methoxy-quinoline-3-carboxylate

Systemtic Name: ethyl 4-[2-[2-[(3-ethoxycarbonyl-6-methoxy-quinolin-1-ium-4-yl)amino]ethyl]benzimidazol-1-yl]-6-methoxy-quinoline-3-carboxylate Openeye Name: ethyl 4-[2-[2-[(3-ethoxycarbonyl-6-methoxy-quinolin-1-ium-4-yl)amino]ethyl]benzimidazol-1-yl]-6-methoxy-quinoline-3-carboxylate CAS Name: 4-[2-[2-[(3-ethoxycarbonyl-6-methoxy-4-quinolin-1-iumyl)amino]ethyl]-1-benzimidazolyl]-6-methoxy-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-[(3-ethoxycarbonyl-6-methoxyquinolin-1-ium-4-yl)amino]ethyl]benzimidazol-1-yl]-6-methoxyquinoline-3-carboxylate Traditional Name: 4-[2-[2-[(3-carbethoxy-6-methoxy-quinolin-1-ium-4-yl)amino]ethyl]benzimidazol-1-yl]-6-methoxy-quinoline-3-carboxylic acid ethyl ester Formula: C35H34N5O6+ MolecularWeight: 620.67436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1NCCC3=NC4=CC=CC=C4N3C5=C6C=C(C=CC6=NC=C5C(=O)OCC)OC)OC

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1NCCC3=NC4=CC=CC=C4N3C5=C6C=C(C=CC6=NC=C5C(=O)OCC)OC)OC

InChI

InChI=1S/C35H33N5O6/c1-5-45-34(41)25-19-37-27-13-11-21(43-3)17-23(27)32(25)36-16-15-31-39-29-9-7-8-10-30(29)40(31)33-24-18-22(44-4)12-14-28(24)38-20-26(33)35(42)46-6-2/h7-14,17-20H,5-6,15-16H2,1-4H3,(H,36,37)/p+1