6-chloranyl-7-methoxy-4-methyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-methoxy-4-methyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]chromen-2-one Openeye Name: 6-chloro-7-methoxy-4-methyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]chromen-2-one CAS Name: 6-chloro-7-methoxy-4-methyl-3-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methoxy-4-methyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]chromen-2-one Traditional Name: 6-chloro-3-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-7-methoxy-4-methyl-coumarin Formula: C18H22ClN2O4+ MolecularWeight: 365.83128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC)CC(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC)CC(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C18H21ClN2O4/c1-11-12-8-14(19)16(24-3)10-15(12)25-18(23)13(11)9-17(22)21-6-4-20(2)5-7-21/h8,10H,4-7,9H2,1-3H3/p+1