2-[4-[[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl]amino]-1-ethyl-piperidin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[4-[[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl]amino]-1-ethyl-piperidin-1-ium-1-yl]ethanoate Openeye Name: 2-[4-[[2-(4-cyanoanilino)-2-oxo-ethyl]amino]-1-ethyl-piperidin-1-ium-1-yl]acetate CAS Name: 2-[4-[[2-(4-cyanoanilino)-2-oxoethyl]amino]-1-ethyl-1-piperidin-1-iumyl]acetate IUPAC Name: 2-[4-[[2-(4-cyanoanilino)-2-oxoethyl]amino]-1-ethylpiperidin-1-ium-1-yl]acetate Traditional Name: 2-[4-[[2-(4-cyanoanilino)-2-keto-ethyl]amino]-1-ethyl-piperidin-1-ium-1-yl]acetate Formula: C18H24N4O3 MolecularWeight: 344.40816

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCC(CC1)NCC(=O)NC2=CC=C(C=C2)C#N)CC(=O)[O-]

Isomeric SMILES

CC[N+]1(CCC(CC1)NCC(=O)NC2=CC=C(C=C2)C#N)CC(=O)[O-]

InChI

InChI=1S/C18H24N4O3/c1-2-22(13-18(24)25)9-7-15(8-10-22)20-12-17(23)21-16-5-3-14(11-19)4-6-16/h3-6,15,20H,2,7-10,12-13H2,1H3,(H-,21,23,24,25)