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

Systemtic Name: 3-(4-methoxyphenoxy)-2-methyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-4-olate Openeye Name: 3-(4-methoxyphenoxy)-2-methyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxo-5,6,8,8a-tetrahydrochromen-4-olate CAS Name: 3-(4-methoxyphenoxy)-2-methyl-8-[(4-methyl-1-piperazin-4-iumyl)methyl]-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-4-olate IUPAC Name: 3-(4-methoxyphenoxy)-2-methyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxo-5,6,8,8a-tetrahydrochromen-4-olate Traditional Name: 7-keto-3-(4-methoxyphenoxy)-2-methyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-5,6,8,8a-tetrahydrochromen-4-olate Formula: C23H30N2O5 MolecularWeight: 414.4947

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CCC(=O)C(C2O1)CN3CC[NH+](CC3)C)[O-])OC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C(=C2CCC(=O)C(C2O1)CN3CC[NH+](CC3)C)[O-])OC4=CC=C(C=C4)OC

InChI

InChI=1S/C23H30N2O5/c1-15-22(30-17-6-4-16(28-3)5-7-17)21(27)18-8-9-20(26)19(23(18)29-15)14-25-12-10-24(2)11-13-25/h4-7,19,23,27H,8-14H2,1-3H3