ethyl 4-[2-[[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[[3-cyano-4,5-dimethyl-1-(phenylmethyl)-2-pyrrolyl]amino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)amino]-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C23H30N5O3+ MolecularWeight: 424.516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C(=C(N2CC3=CC=CC=C3)C)C)C#N

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C(=C(N2CC3=CC=CC=C3)C)C)C#N

InChI

InChI=1S/C23H29N5O3/c1-4-31-23(30)27-12-10-26(11-13-27)16-21(29)25-22-20(14-24)17(2)18(3)28(22)15-19-8-6-5-7-9-19/h5-9H,4,10-13,15-16H2,1-3H3,(H,25,29)/p+1