ethyl 3-[(2,5-dimethylpyrazol-3-yl)methyl-(2-pyrrolidin-1-ium-1-ylethyl)amino]-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-[(2,5-dimethylpyrazol-3-yl)methyl-(2-pyrrolidin-1-ium-1-ylethyl)amino]-3-oxidanylidene-propanoate Openeye Name: ethyl 3-[(2,5-dimethylpyrazol-3-yl)methyl-(2-pyrrolidin-1-ium-1-ylethyl)amino]-3-oxo-propanoate CAS Name: 3-[(2,5-dimethyl-3-pyrazolyl)methyl-[2-(1-pyrrolidin-1-iumyl)ethyl]amino]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[(2,5-dimethylpyrazol-3-yl)methyl-(2-pyrrolidin-1-ium-1-ylethyl)amino]-3-oxopropanoate Traditional Name: 3-[(2,5-dimethylpyrazol-3-yl)methyl-(2-pyrrolidin-1-ium-1-ylethyl)amino]-3-keto-propionic acid ethyl ester Formula: C17H29N4O3+ MolecularWeight: 337.43716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)N(CC[NH+]1CCCC1)CC2=CC(=NN2C)C

Isomeric SMILES

CCOC(=O)CC(=O)N(CC[NH+]1CCCC1)CC2=CC(=NN2C)C

InChI

InChI=1S/C17H28N4O3/c1-4-24-17(23)12-16(22)21(10-9-20-7-5-6-8-20)13-15-11-14(2)18-19(15)3/h11H,4-10,12-13H2,1-3H3/p+1