1-[4-[(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 1-[4-[(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[(2-chloro-7,8-dimethyl-3-quinolyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[(2-chloro-7,8-dimethyl-3-quinolinyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-[(2-chloro-7,8-dimethyl-3-quinolyl)methyl]piperazin-4-ium-1-yl]ethanone Formula: C18H23ClN3O+ MolecularWeight: 332.84772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)C[NH+]3CCN(CC3)C(=O)C)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)C[NH+]3CCN(CC3)C(=O)C)Cl)C

InChI

InChI=1S/C18H22ClN3O/c1-12-4-5-15-10-16(18(19)20-17(15)13(12)2)11-21-6-8-22(9-7-21)14(3)23/h4-5,10H,6-9,11H2,1-3H3/p+1