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

Systemtic Name: 6-chloranyl-3-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-7-methoxy-4-methyl-chromen-2-one Openeye Name: 3-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-6-chloro-7-methoxy-4-methyl-chromen-2-one CAS Name: 6-chloro-3-[2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-7-methoxy-4-methyl-1-benzopyran-2-one IUPAC Name: 3-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]-6-chloro-7-methoxy-4-methylchromen-2-one Traditional Name: 3-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-keto-ethyl]-6-chloro-7-methoxy-4-methyl-coumarin Formula: C30H30ClN2O4+ MolecularWeight: 518.0232

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H29ClN2O4/c1-20-23-17-25(31)27(36-2)19-26(23)37-30(35)24(20)18-28(34)32-13-15-33(16-14-32)29(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,17,19,29H,13-16,18H2,1-2H3/p+1