4-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[4-[(4-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-7,8-dimethylchromen-2-one Traditional Name: 7,8-dimethyl-4-[(4-p-anisylpiperazine-1,4-diium-1-yl)methyl]coumarin Formula: C24H30N2O3+2 MolecularWeight: 394.5066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CC[NH+](CC3)CC4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CC[NH+](CC3)CC4=CC=C(C=C4)OC)C

InChI

InChI=1S/C24H28N2O3/c1-17-4-9-22-20(14-23(27)29-24(22)18(17)2)16-26-12-10-25(11-13-26)15-19-5-7-21(28-3)8-6-19/h4-9,14H,10-13,15-16H2,1-3H3/p+2