4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-6-propan-2-yl-chromen-2-one

Systemtic Name: 4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 6-isopropyl-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one CAS Name: 4-[[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 6-isopropyl-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-coumarin Formula: C25H31N2O3+ MolecularWeight: 407.52524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C4=CC=CC=C4OC)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C4=CC=CC=C4OC)C(C)C

InChI

InChI=1S/C25H30N2O3/c1-17(2)20-15-21-19(14-25(28)30-24(21)13-18(20)3)16-26-9-11-27(12-10-26)22-7-5-6-8-23(22)29-4/h5-8,13-15,17H,9-12,16H2,1-4H3/p+1