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

Systemtic Name: 6-chloranyl-4-methyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-chloro-7-hydroxy-4-methyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one CAS Name: 6-chloro-7-hydroxy-4-methyl-8-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-hydroxy-4-methyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one Traditional Name: 6-chloro-7-hydroxy-4-methyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]coumarin Formula: C16H21ClN2O3+2 MolecularWeight: 324.80254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN2O3/c1-10-7-14(20)22-16-11(10)8-13(17)15(21)12(16)9-19-5-3-18(2)4-6-19/h7-8,21H,3-6,9H2,1-2H3/p+2