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

Systemtic Name: 4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7,8-dimethyl-coumarin Formula: C23H27N2O3+ MolecularWeight: 379.47208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O3/c1-16-7-8-21-18(13-22(26)28-23(21)17(16)2)15-24-9-11-25(12-10-24)19-5-4-6-20(14-19)27-3/h4-8,13-14H,9-12,15H2,1-3H3/p+1