2-[1-(diphenylmethyl)piperazin-1-ium-1-yl]-2-ethanoyl-3-methyl-butanoic acid

Systemtic Name: 2-[1-(diphenylmethyl)piperazin-1-ium-1-yl]-2-ethanoyl-3-methyl-butanoic acid Openeye Name: 2-acetyl-2-(1-benzhydrylpiperazin-1-ium-1-yl)-3-methyl-butanoic acid CAS Name: 2-acetyl-2-[1-(diphenylmethyl)-1-piperazin-1-iumyl]-3-methylbutanoic acid IUPAC Name: 2-acetyl-2-(1-benzhydrylpiperazin-1-ium-1-yl)-3-methylbutanoic acid Traditional Name: 2-acetyl-2-(1-benzhydrylpiperazin-1-ium-1-yl)-3-methyl-butyric acid Formula: C24H31N2O3+ MolecularWeight: 395.51454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O3/c1-18(2)24(19(3)27,23(28)29)26(16-14-25-15-17-26)22(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,18,22,25H,14-17H2,1-3H3/p+1