ethyl 4-[2-oxidanylidene-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-oxidanylidene-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-oxo-2-[[(R)-phenyl(2-thienyl)methyl]amino]ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-keto-2-[[(R)-phenyl(2-thienyl)methyl]amino]ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC(C2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)N[C@H](C2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C20H25N3O3S/c1-2-26-20(25)23-12-10-22(11-13-23)15-18(24)21-19(17-9-6-14-27-17)16-7-4-3-5-8-16/h3-9,14,19H,2,10-13,15H2,1H3,(H,21,24)/p+1/t19-/m1/s1