5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonyl-4,6-dimethyl-pyran-2-one

Systemtic Name: 5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonyl-4,6-dimethyl-pyran-2-one Openeye Name: 5-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-4,6-dimethyl-pyran-2-one CAS Name: 5-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-4,6-dimethyl-2-pyranone IUPAC Name: 5-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-4,6-dimethylpyran-2-one Traditional Name: 5-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-4,6-dimethyl-pyran-2-one Formula: C25H27N2O3+ MolecularWeight: 403.49348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC(=C1C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=O)OC(=C1C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H26N2O3/c1-18-17-22(28)30-19(2)23(18)25(29)27-15-13-26(14-16-27)24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,17,24H,13-16H2,1-2H3/p+1