ethyl 2-[4-(4-cyano-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-3-yl)piperazin-1-yl]-2-oxidanylidene-ethanoate

Systemtic Name: ethyl 2-[4-(4-cyano-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-3-yl)piperazin-1-yl]-2-oxidanylidene-ethanoate Openeye Name: ethyl 2-[4-(4-cyano-1-isopropyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-3-yl)piperazin-1-yl]-2-oxo-acetate CAS Name: 2-[4-(4-cyano-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-3-yl)-1-piperazinyl]-2-oxoacetic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-cyano-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-3-yl)piperazin-1-yl]-2-oxoacetate Traditional Name: 2-[4-(4-cyano-1-isopropyl-2-pyrindan-2-ium-3-yl)piperazino]-2-keto-acetic acid ethyl ester Formula: C20H27N4O3+ MolecularWeight: 371.45338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)N1CCN(CC1)C2=[NH+]C(=C3CCCC3=C2C#N)C(C)C

Isomeric SMILES

CCOC(=O)C(=O)N1CCN(CC1)C2=[NH+]C(=C3CCCC3=C2C#N)C(C)C

InChI

InChI=1S/C20H26N4O3/c1-4-27-20(26)19(25)24-10-8-23(9-11-24)18-16(12-21)14-6-5-7-15(14)17(22-18)13(2)3/h13H,4-11H2,1-3H3/p+1