3-(4-methoxyphenyl)-4-methyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 3-(4-methoxyphenyl)-4-methyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-3-(4-methoxyphenyl)-4-methyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one CAS Name: 7-hydroxy-3-(4-methoxyphenyl)-4-methyl-8-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-3-(4-methoxyphenyl)-4-methyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one Traditional Name: 7-hydroxy-3-(4-methoxyphenyl)-4-methyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]coumarin Formula: C23H28N2O4+2 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CC[NH+](CC3)C)O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CC[NH+](CC3)C)O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H26N2O4/c1-15-18-8-9-20(26)19(14-25-12-10-24(2)11-13-25)22(18)29-23(27)21(15)16-4-6-17(28-3)7-5-16/h4-9,26H,10-14H2,1-3H3/p+2