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

Systemtic Name: ethyl 4-[2-oxidanylidene-2-[[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]amino]ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[[(3R)-1-benzylpyrrolidin-1-ium-3-yl]amino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-oxo-2-[[(3R)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]amino]ethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[[(3R)-1-benzylpyrrolidin-1-ium-3-yl]amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[[(3R)-1-benzylpyrrolidin-1-ium-3-yl]amino]-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C20H32N4O3+2 MolecularWeight: 376.49308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2CC[NH+](C2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)N[C@@H]2CC[NH+](C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H30N4O3/c1-2-27-20(26)24-12-10-22(11-13-24)16-19(25)21-18-8-9-23(15-18)14-17-6-4-3-5-7-17/h3-7,18H,2,8-16H2,1H3,(H,21,25)/p+2/t18-/m1/s1