ethyl 2,5-dimethyl-1-[2-oxidanylidene-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-1-[2-oxidanylidene-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-1-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-[2-oxo-2-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-1-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]pyrrole-3-carboxylate Traditional Name: 1-[2-keto-2-(4-pyridin-1-ium-4-ylpiperazino)ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C20H27N4O3+ MolecularWeight: 371.45338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)C

InChI

InChI=1S/C20H26N4O3/c1-4-27-20(26)18-13-15(2)24(16(18)3)14-19(25)23-11-9-22(10-12-23)17-5-7-21-8-6-17/h5-8,13H,4,9-12,14H2,1-3H3/p+1