ethyl 4-[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[[(1R)-1,2-diphenylethyl]amino]-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC(CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)N[C@H](CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3/c1-2-29-23(28)26-15-13-25(14-16-26)18-22(27)24-21(20-11-7-4-8-12-20)17-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3,(H,24,27)/p+1/t21-/m1/s1