6-chloranyl-4-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-5,7-dimethyl-chromen-2-one

Systemtic Name: 6-chloranyl-4-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-5,7-dimethyl-chromen-2-one Openeye Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-6-chloro-5,7-dimethyl-chromen-2-one CAS Name: 6-chloro-4-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-5,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-6-chloro-5,7-dimethylchromen-2-one Traditional Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-6-chloro-5,7-dimethyl-coumarin Formula: C29H30ClN2O2+ MolecularWeight: 474.0137

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1Cl)C)C(=CC(=O)O2)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C(=C1Cl)C)C(=CC(=O)O2)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H29ClN2O2/c1-20-17-25-27(21(2)28(20)30)24(18-26(33)34-25)19-31-13-15-32(16-14-31)29(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,17-18,29H,13-16,19H2,1-2H3/p+1