4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-2-oxidanyl-6,7,8,8a-tetrahydrochromen-5-one

Systemtic Name: 4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-2-oxidanyl-6,7,8,8a-tetrahydrochromen-5-one Openeye Name: 2-hydroxy-4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-6,7,8,8a-tetrahydrochromen-5-one CAS Name: 2-hydroxy-4-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-7-methyl-6,7,8,8a-tetrahydro-1-benzopyran-5-one IUPAC Name: 2-hydroxy-4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-6,7,8,8a-tetrahydrochromen-5-one Traditional Name: 2-hydroxy-4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-6,7,8,8a-tetrahydrochromen-5-one Formula: C22H29N2O4+ MolecularWeight: 385.47666

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C(=C(C=C(O2)O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)OC)C(=O)C1

Isomeric SMILES

CC1CC2C(=C(C=C(O2)O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)OC)C(=O)C1

InChI

InChI=1S/C22H28N2O4/c1-15-11-19(25)22-16(13-21(26)28-20(22)12-15)14-23-7-9-24(10-8-23)17-3-5-18(27-2)6-4-17/h3-6,13,15,20,26H,7-12,14H2,1-2H3/p+1