6-chloranyl-3-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 6-chloranyl-3-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4-methyl-7-oxidanyl-chromen-2-one Openeye Name: 3-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-6-chloro-7-hydroxy-4-methyl-chromen-2-one CAS Name: 6-chloro-3-[2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-7-hydroxy-4-methyl-1-benzopyran-2-one IUPAC Name: 3-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]-6-chloro-7-hydroxy-4-methylchromen-2-one Traditional Name: 3-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-keto-ethyl]-6-chloro-7-hydroxy-4-methyl-coumarin Formula: C29H28ClN2O4+ MolecularWeight: 503.99662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CC(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CC(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H27ClN2O4/c1-19-22-16-24(30)25(33)18-26(22)36-29(35)23(19)17-27(34)31-12-14-32(15-13-31)28(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,16,18,28,33H,12-15,17H2,1H3/p+1