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

Systemtic Name: 6-chloranyl-7-methyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]coumarin Formula: C16H21ClN2O2+2 MolecularWeight: 308.80314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CC[NH+](CC3)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CC[NH+](CC3)C)Cl

InChI

InChI=1S/C16H19ClN2O2/c1-11-7-15-13(9-14(11)17)12(8-16(20)21-15)10-19-5-3-18(2)4-6-19/h7-9H,3-6,10H2,1-2H3/p+2