methyl 4-[[4-[4-(1,3-thiazol-2-ylcarbamoyl)quinolin-2-yl]pyridin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[4-(1,3-thiazol-2-ylcarbamoyl)quinolin-2-yl]pyridin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[4-(thiazol-2-ylcarbamoyl)-2-quinolyl]pyridin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[4-[4-[oxo-(2-thiazolylamino)methyl]-2-quinolinyl]-1-pyridin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[4-(1,3-thiazol-2-ylcarbamoyl)quinolin-2-yl]pyridin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[4-[4-(thiazol-2-ylcarbamoyl)-2-quinolyl]pyridin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C27H21N4O3S+ MolecularWeight: 481.54564

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)NC5=NC=CS5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)NC5=NC=CS5

InChI

InChI=1S/C27H20N4O3S/c1-34-26(33)20-8-6-18(7-9-20)17-31-13-10-19(11-14-31)24-16-22(21-4-2-3-5-23(21)29-24)25(32)30-27-28-12-15-35-27/h2-16H,17H2,1H3/p+1