methyl 1-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C18H28N4O3+2 MolecularWeight: 348.43992

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H26N4O3/c1-25-18(24)15-5-8-20(9-6-15)14-17(23)22-12-10-21(11-13-22)16-4-2-3-7-19-16/h2-4,7,15H,5-6,8-14H2,1H3/p+2