3-(2-methoxyphenyl)-2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-4-olate

Systemtic Name: 3-(2-methoxyphenyl)-2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-4-olate Openeye Name: 3-(2-methoxyphenyl)-2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-7-oxo-5,6,8,8a-tetrahydrochromen-4-olate CAS Name: 3-(2-methoxyphenyl)-2-methyl-8-[(4-methyl-1-piperazin-1-iumyl)methyl]-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-4-olate IUPAC Name: 3-(2-methoxyphenyl)-2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-7-oxo-5,6,8,8a-tetrahydrochromen-4-olate Traditional Name: 7-keto-3-(2-methoxyphenyl)-2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-5,6,8,8a-tetrahydrochromen-4-olate Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CCC(=O)C(C2O1)C[NH+]3CCN(CC3)C)[O-])C4=CC=CC=C4OC

Isomeric SMILES

CC1=C(C(=C2CCC(=O)C(C2O1)C[NH+]3CCN(CC3)C)[O-])C4=CC=CC=C4OC

InChI

InChI=1S/C23H30N2O4/c1-15-21(16-6-4-5-7-20(16)28-3)22(27)17-8-9-19(26)18(23(17)29-15)14-25-12-10-24(2)11-13-25/h4-7,18,23,27H,8-14H2,1-3H3