methyl 2-[(2S)-1-[(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate

Systemtic Name: methyl 2-[(2S)-1-[(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: methyl 2-[(2S)-1-[(2-chloro-7,8-dimethyl-3-quinolyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2S)-1-[(2-chloro-7,8-dimethyl-3-quinolinyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S)-1-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2S)-1-[(2-chloro-7,8-dimethyl-3-quinolyl)methyl]-3-keto-piperazin-1-ium-2-yl]acetic acid methyl ester Formula: C19H23ClN3O3+ MolecularWeight: 376.85722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)C[NH+]3CCNC(=O)C3CC(=O)OC)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)C[NH+]3CCNC(=O)[C@@H]3CC(=O)OC)Cl)C

InChI

InChI=1S/C19H22ClN3O3/c1-11-4-5-13-8-14(18(20)22-17(13)12(11)2)10-23-7-6-21-19(25)15(23)9-16(24)26-3/h4-5,8,15H,6-7,9-10H2,1-3H3,(H,21,25)/p+1/t15-/m0/s1