2-[1-(diphenylmethyl)piperazin-1-ium-1-yl]-2-ethanoyl-3,3-dimethyl-butanoate

Systemtic Name: 2-[1-(diphenylmethyl)piperazin-1-ium-1-yl]-2-ethanoyl-3,3-dimethyl-butanoate Openeye Name: 2-acetyl-2-(1-benzhydrylpiperazin-1-ium-1-yl)-3,3-dimethyl-butanoate CAS Name: 2-acetyl-2-[1-(diphenylmethyl)-1-piperazin-1-iumyl]-3,3-dimethylbutanoate IUPAC Name: 2-acetyl-2-(1-benzhydrylpiperazin-1-ium-1-yl)-3,3-dimethylbutanoate Traditional Name: 2-acetyl-2-(1-benzhydrylpiperazin-1-ium-1-yl)-3,3-dimethyl-butyrate Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)[O-])(C(C)(C)C)[N+]1(CCNCC1)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)C(C(=O)[O-])(C(C)(C)C)[N+]1(CCNCC1)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H32N2O3/c1-19(28)25(23(29)30,24(2,3)4)27(17-15-26-16-18-27)22(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,22,26H,15-18H2,1-4H3