3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propanoate

Systemtic Name: 3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propanoate Openeye Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)-3-oxo-propanoate CAS Name: 3-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-3-oxopropanoate IUPAC Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)-3-oxopropanoate Traditional Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)-3-keto-propionate Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3/c23-18(15-19(24)25)21-11-13-22(14-12-21)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,20H,11-15H2,(H,24,25)