6-chloranyl-3,4-dimethyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 6-chloranyl-3,4-dimethyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-chloro-7-hydroxy-3,4-dimethyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one CAS Name: 6-chloro-7-hydroxy-3,4-dimethyl-8-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-hydroxy-3,4-dimethyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one Traditional Name: 6-chloro-7-hydroxy-3,4-dimethyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]coumarin Formula: C17H23ClN2O3+2 MolecularWeight: 338.82912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH+]3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH+]3CC[NH+](CC3)C)C

InChI

InChI=1S/C17H21ClN2O3/c1-10-11(2)17(22)23-16-12(10)8-14(18)15(21)13(16)9-20-6-4-19(3)5-7-20/h8,21H,4-7,9H2,1-3H3/p+2