N-tert-butyl-4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-oxidanylidene-butanamide

Systemtic Name: N-tert-butyl-4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-oxidanylidene-butanamide Openeye Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-N-tert-butyl-4-oxo-butanamide CAS Name: N-tert-butyl-4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-4-oxobutanamide IUPAC Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-N-tert-butyl-4-oxobutanamide Traditional Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-N-tert-butyl-4-keto-butyramide Formula: C25H34N3O2+ MolecularWeight: 408.55636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CCC(=O)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)CCC(=O)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H33N3O2/c1-25(2,3)26-22(29)14-15-23(30)27-16-18-28(19-17-27)24(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,24H,14-19H2,1-3H3,(H,26,29)/p+1