4-[(2-chloranyl-7-methoxy-quinolin-3-yl)methyl]piperazin-4-ium-2-one

Systemtic Name: 4-[(2-chloranyl-7-methoxy-quinolin-3-yl)methyl]piperazin-4-ium-2-one Openeye Name: 4-[(2-chloro-7-methoxy-3-quinolyl)methyl]piperazin-4-ium-2-one CAS Name: 4-[(2-chloro-7-methoxy-3-quinolinyl)methyl]-2-piperazin-4-iumone IUPAC Name: 4-[(2-chloro-7-methoxyquinolin-3-yl)methyl]piperazin-4-ium-2-one Traditional Name: 4-[(2-chloro-7-methoxy-3-quinolyl)methyl]piperazin-4-ium-2-one Formula: C15H17ClN3O2+ MolecularWeight: 306.76738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)C[NH+]3CCNC(=O)C3)Cl

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)C[NH+]3CCNC(=O)C3)Cl

InChI

InChI=1S/C15H16ClN3O2/c1-21-12-3-2-10-6-11(15(16)18-13(10)7-12)8-19-5-4-17-14(20)9-19/h2-3,6-7H,4-5,8-9H2,1H3,(H,17,20)/p+1