3,4-dimethyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 3,4-dimethyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-3,4-dimethyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-2-one CAS Name: 7-hydroxy-3,4-dimethyl-8-[(4-methyl-1-piperazin-4-iumyl)methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-3,4-dimethyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-2-one Traditional Name: 7-hydroxy-3,4-dimethyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]coumarin Formula: C17H23N2O3+ MolecularWeight: 303.37612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3/c1-11-12(2)17(21)22-16-13(11)4-5-15(20)14(16)10-19-8-6-18(3)7-9-19/h4-5,20H,6-10H2,1-3H3/p+1