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

Systemtic Name: 4-[1-(diphenylmethyl)piperazin-1-ium-1-yl]-2-ethanoyl-pentanoate Openeye Name: 2-acetyl-4-(1-benzhydrylpiperazin-1-ium-1-yl)pentanoate CAS Name: 2-acetyl-4-[1-(diphenylmethyl)-1-piperazin-1-iumyl]pentanoate IUPAC Name: 2-acetyl-4-(1-benzhydrylpiperazin-1-ium-1-yl)pentanoate Traditional Name: 2-acetyl-4-(1-benzhydrylpiperazin-1-ium-1-yl)valerate Formula: C24H30N2O3 MolecularWeight: 394.5066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O3/c1-18(17-22(19(2)27)24(28)29)26(15-13-25-14-16-26)23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,18,22-23,25H,13-17H2,1-2H3