methyl 2-[4-methyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-2-oxidanylidene-chromen-3-yl]ethanoate

Systemtic Name: methyl 2-[4-methyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-2-oxidanylidene-chromen-3-yl]ethanoate Openeye Name: methyl 2-[7-hydroxy-4-methyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxo-chromen-3-yl]acetate CAS Name: 2-[7-hydroxy-4-methyl-8-[(4-methyl-1-piperazin-4-iumyl)methyl]-2-oxo-1-benzopyran-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[7-hydroxy-4-methyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxochromen-3-yl]acetate Traditional Name: 2-[7-hydroxy-2-keto-4-methyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-3-yl]acetic acid methyl ester Formula: C19H25N2O5+ MolecularWeight: 361.4122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2CN3CC[NH+](CC3)C)O)CC(=O)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2CN3CC[NH+](CC3)C)O)CC(=O)OC

InChI

InChI=1S/C19H24N2O5/c1-12-13-4-5-16(22)15(11-21-8-6-20(2)7-9-21)18(13)26-19(24)14(12)10-17(23)25-3/h4-5,22H,6-11H2,1-3H3/p+1