N-(4-butoxyphenyl)-6-chloranyl-2-methyl-quinolin-1-ium-4-amine chloride

Systemtic Name: N-(4-butoxyphenyl)-6-chloranyl-2-methyl-quinolin-1-ium-4-amine chloride Openeye Name: N-(4-butoxyphenyl)-6-chloro-2-methyl-quinolin-1-ium-4-amine chloride CAS Name: N-(4-butoxyphenyl)-6-chloro-2-methyl-4-quinolin-1-iumamine chloride IUPAC Name: N-(4-butoxyphenyl)-6-chloro-2-methylquinolin-1-ium-4-amine chloride Traditional Name: (4-butoxyphenyl)-(6-chloro-2-methyl-quinolin-1-ium-4-yl)amine chloride Formula: C20H22Cl2N2O MolecularWeight: 377.30748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=CC(=[NH+]C3=C2C=C(C=C3)Cl)C.[Cl-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=CC(=[NH+]C3=C2C=C(C=C3)Cl)C.[Cl-]

InChI

InChI=1S/C20H21ClN2O.ClH/c1-3-4-11-24-17-8-6-16(7-9-17)23-20-12-14(2)22-19-10-5-15(21)13-18(19)20;/h5-10,12-13H,3-4,11H2,1-2H3,(H,22,23);1H