butyl 4-[(2-methylquinolin-1-ium-4-yl)amino]benzoate

Systemtic Name: butyl 4-[(2-methylquinolin-1-ium-4-yl)amino]benzoate Openeye Name: butyl 4-[(2-methylquinolin-1-ium-4-yl)amino]benzoate CAS Name: 4-[(2-methyl-4-quinolin-1-iumyl)amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(2-methylquinolin-1-ium-4-yl)amino]benzoate Traditional Name: 4-[(2-methylquinolin-1-ium-4-yl)amino]benzoic acid butyl ester Formula: C21H23N2O2+ MolecularWeight: 335.41952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC2=CC(=[NH+]C3=CC=CC=C32)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC2=CC(=[NH+]C3=CC=CC=C32)C

InChI

InChI=1S/C21H22N2O2/c1-3-4-13-25-21(24)16-9-11-17(12-10-16)23-20-14-15(2)22-19-8-6-5-7-18(19)20/h5-12,14H,3-4,13H2,1-2H3,(H,22,23)/p+1