4-[[4-(3-methyl-4-oxidanylidene-2-phenyl-chromen-8-yl)carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(3-methyl-4-oxidanylidene-2-phenyl-chromen-8-yl)carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3-methyl-4-oxo-2-phenyl-chromene-8-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(3-methyl-4-oxo-2-phenyl-1-benzopyran-8-yl)-oxomethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(4-keto-3-methyl-2-phenyl-chromene-8-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C29H26N3O3+ MolecularWeight: 464.53504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N)C5=CC=CC=C5

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N)C5=CC=CC=C5

InChI

InChI=1S/C29H25N3O3/c1-20-26(33)24-8-5-9-25(28(24)35-27(20)23-6-3-2-4-7-23)29(34)32-16-14-31(15-17-32)19-22-12-10-21(18-30)11-13-22/h2-13H,14-17,19H2,1H3/p+1