3-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-5-methoxy-4,7-dimethyl-chromen-2-one

Systemtic Name: 3-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-5-methoxy-4,7-dimethyl-chromen-2-one Openeye Name: 3-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-5-methoxy-4,7-dimethyl-chromen-2-one CAS Name: 3-[2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-5-methoxy-4,7-dimethyl-1-benzopyran-2-one IUPAC Name: 3-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]-5-methoxy-4,7-dimethylchromen-2-one Traditional Name: 3-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-keto-ethyl]-5-methoxy-4,7-dimethyl-coumarin Formula: C31H33N2O4+ MolecularWeight: 497.60472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C)C(=C1)OC

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C)C(=C1)OC

InChI

InChI=1S/C31H32N2O4/c1-21-18-26(36-3)29-22(2)25(31(35)37-27(29)19-21)20-28(34)32-14-16-33(17-15-32)30(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-13,18-19,30H,14-17,20H2,1-3H3/p+1