5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-5-oxo-pentanoate CAS Name: 5-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-5-oxopentanoate IUPAC Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-5-oxopentanoate Traditional Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-5-keto-valerate Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCCC(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCCC(=O)[O-]

InChI

InChI=1S/C22H26N2O3/c25-20(12-7-13-21(26)27)23-14-16-24(17-15-23)22(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,22H,7,12-17H2,(H,26,27)