N-(4-butylphenyl)-8-methoxy-quinolin-4-amine hydrate hydrochloride

Systemtic Name: N-(4-butylphenyl)-8-methoxy-quinolin-4-amine hydrate hydrochloride Openeye Name: N-(4-butylphenyl)-8-methoxy-quinolin-4-amine hydrate hydrochloride CAS Name: N-(4-butylphenyl)-8-methoxy-4-quinolinamine hydrate hydrochloride IUPAC Name: N-(4-butylphenyl)-8-methoxyquinolin-4-amine hydrate hydrochloride Traditional Name: (4-butylphenyl)-(8-methoxy-4-quinolyl)amine hydrate hydrochloride Formula: C20H25ClN2O2 MolecularWeight: 360.8777

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C3C=CC=C(C3=NC=C2)OC.O.Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C3C=CC=C(C3=NC=C2)OC.O.Cl

InChI

InChI=1S/C20H22N2O.ClH.H2O/c1-3-4-6-15-9-11-16(12-10-15)22-18-13-14-21-20-17(18)7-5-8-19(20)23-2;;/h5,7-14H,3-4,6H2,1-2H3,(H,21,22);1H;1H2