4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-6-propan-2-yl-chromen-2-one

Systemtic Name: 4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 6-isopropyl-4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one CAS Name: 4-[[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 6-isopropyl-4-[[4-(3-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=C4)OC)C(C)C

Isomeric SMILES

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

InChI

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