methyl 2-[(2R)-1-[(3-chloranyl-4-methyl-quinolin-2-yl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate

Systemtic Name: methyl 2-[(2R)-1-[(3-chloranyl-4-methyl-quinolin-2-yl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: methyl 2-[(2R)-1-[(3-chloro-4-methyl-2-quinolyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2R)-1-[(3-chloro-4-methyl-2-quinolinyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2R)-1-[(3-chloro-4-methylquinolin-2-yl)methyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2R)-1-[(3-chloro-4-methyl-2-quinolyl)methyl]-3-keto-piperazin-1-ium-2-yl]acetic acid methyl ester Formula: C18H21ClN3O3+ MolecularWeight: 362.83064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C[NH+]3CCNC(=O)C3CC(=O)OC)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C[NH+]3CCNC(=O)[C@H]3CC(=O)OC)Cl

InChI

InChI=1S/C18H20ClN3O3/c1-11-12-5-3-4-6-13(12)21-14(17(11)19)10-22-8-7-20-18(24)15(22)9-16(23)25-2/h3-6,15H,7-10H2,1-2H3,(H,20,24)/p+1/t15-/m1/s1