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

Systemtic Name: 2-[2-azanyl-2-[2-[(4-cyanophenyl)amino]ethyl]-1-(2-methoxy-2-oxidanylidene-ethanoyl)piperidin-1-ium-1-yl]ethanoate Openeye Name: 2-[2-amino-2-[2-(4-cyanoanilino)ethyl]-1-(2-methoxy-2-oxo-acetyl)piperidin-1-ium-1-yl]acetate CAS Name: 2-[2-amino-2-[2-(4-cyanoanilino)ethyl]-1-(2-methoxy-1,2-dioxoethyl)-1-piperidin-1-iumyl]acetate IUPAC Name: 2-[2-amino-2-[2-(4-cyanoanilino)ethyl]-1-(2-methoxy-2-oxoacetyl)piperidin-1-ium-1-yl]acetate Traditional Name: 2-[2-amino-2-[2-(4-cyanoanilino)ethyl]-1-methoxalyl-piperidin-1-ium-1-yl]acetate Formula: C19H24N4O5 MolecularWeight: 388.41766

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=O)[N+]1(CCCCC1(CCNC2=CC=C(C=C2)C#N)N)CC(=O)[O-]

Isomeric SMILES

COC(=O)C(=O)[N+]1(CCCCC1(CCNC2=CC=C(C=C2)C#N)N)CC(=O)[O-]

InChI

InChI=1S/C19H24N4O5/c1-28-18(27)17(26)23(13-16(24)25)11-3-2-8-19(23,21)9-10-22-15-6-4-14(12-20)5-7-15/h4-7,22H,2-3,8-11,13,21H2,1H3