1-[2-[ethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[2-[ethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-[benzyl(ethyl)amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[ethyl-(phenylmethyl)amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[benzyl(ethyl)amino]-2-keto-ethyl]piperidin-1-ium-4-carboxylate Formula: C17H24N2O3 MolecularWeight: 304.38406

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)C[NH+]2CCC(CC2)C(=O)[O-]

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)C[NH+]2CCC(CC2)C(=O)[O-]

InChI

InChI=1S/C17H24N2O3/c1-2-19(12-14-6-4-3-5-7-14)16(20)13-18-10-8-15(9-11-18)17(21)22/h3-7,15H,2,8-13H2,1H3,(H,21,22)