3-[3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-7-methoxy-4,8-dimethyl-chromen-2-one

Systemtic Name: 3-[3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-7-methoxy-4,8-dimethyl-chromen-2-one Openeye Name: 3-[3-(4-benzhydrylpiperazin-4-ium-1-yl)-3-oxo-propyl]-7-methoxy-4,8-dimethyl-chromen-2-one CAS Name: 3-[3-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-3-oxopropyl]-7-methoxy-4,8-dimethyl-1-benzopyran-2-one IUPAC Name: 3-[3-(4-benzhydrylpiperazin-4-ium-1-yl)-3-oxopropyl]-7-methoxy-4,8-dimethylchromen-2-one Traditional Name: 3-[3-(4-benzhydrylpiperazin-4-ium-1-yl)-3-keto-propyl]-7-methoxy-4,8-dimethyl-coumarin Formula: C32H35N2O4+ MolecularWeight: 511.6313

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)OC)CCC(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)OC)CCC(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C32H34N2O4/c1-22-26-14-16-28(37-3)23(2)31(26)38-32(36)27(22)15-17-29(35)33-18-20-34(21-19-33)30(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-14,16,30H,15,17-21H2,1-3H3/p+1