6-chloranyl-5,7-dimethyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-2-one

Systemtic Name: 6-chloranyl-5,7-dimethyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-2-one Openeye Name: 6-chloro-5,7-dimethyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-2-one CAS Name: 6-chloro-5,7-dimethyl-4-[(4-methyl-1-piperazin-4-iumyl)methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-5,7-dimethyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-2-one Traditional Name: 6-chloro-5,7-dimethyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]coumarin Formula: C17H22ClN2O2+ MolecularWeight: 321.82178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1Cl)C)C(=CC(=O)O2)CN3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC2=C(C(=C1Cl)C)C(=CC(=O)O2)CN3CC[NH+](CC3)C

InChI

InChI=1S/C17H21ClN2O2/c1-11-8-14-16(12(2)17(11)18)13(9-15(21)22-14)10-20-6-4-19(3)5-7-20/h8-9H,4-7,10H2,1-3H3/p+1