3,4-dimethyl-2-[(6-methylquinazolin-3-ium-4-yl)amino]pentanoic acid chloride

Systemtic Name: 3,4-dimethyl-2-[(6-methylquinazolin-3-ium-4-yl)amino]pentanoic acid chloride Openeye Name: 3,4-dimethyl-2-[(6-methylquinazolin-3-ium-4-yl)amino]pentanoic acid chloride CAS Name: 3,4-dimethyl-2-[(6-methyl-4-quinazolin-3-iumyl)amino]pentanoic acid chloride IUPAC Name: 3,4-dimethyl-2-[(6-methylquinazolin-3-ium-4-yl)amino]pentanoic acid chloride Traditional Name: 3,4-dimethyl-2-[(6-methylquinazolin-3-ium-4-yl)amino]valeric acid chloride Formula: C16H22ClN3O2 MolecularWeight: 323.81778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C[NH+]=C2NC(C(C)C(C)C)C(=O)O.[Cl-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C[NH+]=C2NC(C(C)C(C)C)C(=O)O.[Cl-]

InChI

InChI=1S/C16H21N3O2.ClH/c1-9(2)11(4)14(16(20)21)19-15-12-7-10(3)5-6-13(12)17-8-18-15;/h5-9,11,14H,1-4H3,(H,20,21)(H,17,18,19);1H