6-chloranyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxidanylidene-4-propyl-chromen-7-olate

Systemtic Name: 6-chloranyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxidanylidene-4-propyl-chromen-7-olate Openeye Name: 6-chloro-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxo-4-propyl-chromen-7-olate CAS Name: 6-chloro-8-[(4-methyl-1-piperazin-1-iumyl)methyl]-2-oxo-4-propyl-1-benzopyran-7-olate IUPAC Name: 6-chloro-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxo-4-propylchromen-7-olate Traditional Name: 6-chloro-2-keto-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-propyl-chromen-7-olate Formula: C18H23ClN2O3 MolecularWeight: 350.83982

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)[O-])C[NH+]3CCN(CC3)C

Isomeric SMILES

CCCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)[O-])C[NH+]3CCN(CC3)C

InChI

InChI=1S/C18H23ClN2O3/c1-3-4-12-9-16(22)24-18-13(12)10-15(19)17(23)14(18)11-21-7-5-20(2)6-8-21/h9-10,23H,3-8,11H2,1-2H3