methyl 4-[(S)-(2-methyl-8-oxidanyl-quinolin-7-yl)-(pyridin-1-ium-2-ylamino)methyl]benzoate

Systemtic Name: methyl 4-[(S)-(2-methyl-8-oxidanyl-quinolin-7-yl)-(pyridin-1-ium-2-ylamino)methyl]benzoate Openeye Name: methyl 4-[(S)-(8-hydroxy-2-methyl-7-quinolyl)-(pyridin-1-ium-2-ylamino)methyl]benzoate CAS Name: 4-[(S)-(8-hydroxy-2-methyl-7-quinolinyl)-(2-pyridin-1-iumylamino)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(S)-(8-hydroxy-2-methylquinolin-7-yl)-(pyridin-1-ium-2-ylamino)methyl]benzoate Traditional Name: 4-[(S)-(8-hydroxy-2-methyl-7-quinolyl)-(pyridin-1-ium-2-ylamino)methyl]benzoic acid methyl ester Formula: C24H22N3O3+ MolecularWeight: 400.44978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C=CC(=C2O)C(C3=CC=C(C=C3)C(=O)OC)NC4=CC=CC=[NH+]4

Isomeric SMILES

CC1=NC2=C(C=C1)C=CC(=C2O)[C@H](C3=CC=C(C=C3)C(=O)OC)NC4=CC=CC=[NH+]4

InChI

InChI=1S/C24H21N3O3/c1-15-6-7-17-12-13-19(23(28)22(17)26-15)21(27-20-5-3-4-14-25-20)16-8-10-18(11-9-16)24(29)30-2/h3-14,21,28H,1-2H3,(H,25,27)/p+1/t21-/m0/s1