N-tert-butyl-2-[4-(3-methyl-4-oxidanylidene-2-phenyl-chromen-8-yl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-(3-methyl-4-oxidanylidene-2-phenyl-chromen-8-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(3-methyl-4-oxo-2-phenyl-chromene-8-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(3-methyl-4-oxo-2-phenyl-1-benzopyran-8-yl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(4-keto-3-methyl-2-phenyl-chromene-8-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C27H32N3O4+ MolecularWeight: 462.56068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)N3CC[NH+](CC3)CC(=O)NC(C)(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)N3CC[NH+](CC3)CC(=O)NC(C)(C)C)C4=CC=CC=C4

InChI

InChI=1S/C27H31N3O4/c1-18-23(32)20-11-8-12-21(25(20)34-24(18)19-9-6-5-7-10-19)26(33)30-15-13-29(14-16-30)17-22(31)28-27(2,3)4/h5-12H,13-17H2,1-4H3,(H,28,31)/p+1