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

Systemtic Name: N-(4-butoxyphenyl)-6-chloranyl-2-methyl-quinolin-1-ium-4-amine Openeye Name: N-(4-butoxyphenyl)-6-chloro-2-methyl-quinolin-1-ium-4-amine CAS Name: N-(4-butoxyphenyl)-6-chloro-2-methyl-4-quinolin-1-iumamine IUPAC Name: N-(4-butoxyphenyl)-6-chloro-2-methylquinolin-1-ium-4-amine Traditional Name: (4-butoxyphenyl)-(6-chloro-2-methyl-quinolin-1-ium-4-yl)amine Formula: C20H22ClN2O+ MolecularWeight: 341.85448

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O/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)/p+1