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

Systemtic Name: 2-[1-(diphenylmethyl)piperazin-1-ium-1-yl]-2-ethanoyl-3-methyl-butanoate Openeye Name: 2-acetyl-2-(1-benzhydrylpiperazin-1-ium-1-yl)-3-methyl-butanoate CAS Name: 2-acetyl-2-[1-(diphenylmethyl)-1-piperazin-1-iumyl]-3-methylbutanoate IUPAC Name: 2-acetyl-2-(1-benzhydrylpiperazin-1-ium-1-yl)-3-methylbutanoate Traditional Name: 2-acetyl-2-(1-benzhydrylpiperazin-1-ium-1-yl)-3-methyl-butyrate Formula: C24H30N2O3 MolecularWeight: 394.5066

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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