4-[1-(diphenylmethyl)piperazin-1-ium-1-yl]-2-ethanoyl-hexanoate

Systemtic Name: 4-[1-(diphenylmethyl)piperazin-1-ium-1-yl]-2-ethanoyl-hexanoate Openeye Name: 2-acetyl-4-(1-benzhydrylpiperazin-1-ium-1-yl)hexanoate CAS Name: 2-acetyl-4-[1-(diphenylmethyl)-1-piperazin-1-iumyl]hexanoate IUPAC Name: 2-acetyl-4-(1-benzhydrylpiperazin-1-ium-1-yl)hexanoate Traditional Name: 2-acetyl-4-(1-benzhydrylpiperazin-1-ium-1-yl)hexanoate Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O3/c1-3-22(18-23(19(2)28)25(29)30)27(16-14-26-15-17-27)24(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,22-24,26H,3,14-18H2,1-2H3