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

Systemtic Name: 4-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[[4-(2-chlorophenyl)-1-piperazin-1-iumyl]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6-isopropyl-7-methyl-coumarin Formula: C24H28ClN2O2+ MolecularWeight: 411.94432

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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=C4Cl)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C4=CC=CC=C4Cl)C(C)C

InChI

InChI=1S/C24H27ClN2O2/c1-16(2)19-14-20-18(13-24(28)29-23(20)12-17(19)3)15-26-8-10-27(11-9-26)22-7-5-4-6-21(22)25/h4-7,12-14,16H,8-11,15H2,1-3H3/p+1