1H-benzimidazol-2-ylmethyl-[(5,6,7-trimethoxy-2-phenyl-quinolin-3-yl)methyl]azanium

Systemtic Name: 1H-benzimidazol-2-ylmethyl-[(5,6,7-trimethoxy-2-phenyl-quinolin-3-yl)methyl]azanium Openeye Name: 1H-benzimidazol-2-ylmethyl-[(5,6,7-trimethoxy-2-phenyl-3-quinolyl)methyl]ammonium CAS Name: 1H-benzimidazol-2-ylmethyl-[(5,6,7-trimethoxy-2-phenyl-3-quinolinyl)methyl]ammonium IUPAC Name: 1H-benzimidazol-2-ylmethyl-[(5,6,7-trimethoxy-2-phenylquinolin-3-yl)methyl]azanium Traditional Name: 1H-benzimidazol-2-ylmethyl-[(5,6,7-trimethoxy-2-phenyl-3-quinolyl)methyl]ammonium Formula: C27H27N4O3+ MolecularWeight: 455.52828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C(=C1OC)OC)C[NH2+]CC3=NC4=CC=CC=C4N3)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C(=C1OC)OC)C[NH2+]CC3=NC4=CC=CC=C4N3)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O3/c1-32-23-14-22-19(26(33-2)27(23)34-3)13-18(25(31-22)17-9-5-4-6-10-17)15-28-16-24-29-20-11-7-8-12-21(20)30-24/h4-14,28H,15-16H2,1-3H3,(H,29,30)/p+1