ethyl (2R)-3-oxidanylidene-2-(phenylmethyl)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propanoate

Systemtic Name: ethyl (2R)-3-oxidanylidene-2-(phenylmethyl)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propanoate Openeye Name: ethyl (2R)-2-benzyl-3-(4-benzylpiperazin-4-ium-1-yl)-3-oxo-propanoate CAS Name: (2R)-3-oxo-2-(phenylmethyl)-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-benzyl-3-(4-benzylpiperazin-4-ium-1-yl)-3-oxopropanoate Traditional Name: (2R)-2-benzyl-3-(4-benzylpiperazin-4-ium-1-yl)-3-keto-propionic acid ethyl ester Formula: C23H29N2O3+ MolecularWeight: 381.48796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=CC=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O3/c1-2-28-23(27)21(17-19-9-5-3-6-10-19)22(26)25-15-13-24(14-16-25)18-20-11-7-4-8-12-20/h3-12,21H,2,13-18H2,1H3/p+1/t21-/m1/s1