6-chloranyl-5,7-dimethyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one

Systemtic Name: 6-chloranyl-5,7-dimethyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one Openeye Name: 6-chloro-5,7-dimethyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one CAS Name: 6-chloro-5,7-dimethyl-4-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-5,7-dimethyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one Traditional Name: 6-chloro-5,7-dimethyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]coumarin Formula: C17H23ClN2O2+2 MolecularWeight: 322.82972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1Cl)C)C(=CC(=O)O2)C[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC2=C(C(=C1Cl)C)C(=CC(=O)O2)C[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C17H21ClN2O2/c1-11-8-14-16(12(2)17(11)18)13(9-15(21)22-14)10-20-6-4-19(3)5-7-20/h8-9H,4-7,10H2,1-3H3/p+2