1-[1-[(2-propanoylphenyl)amino]piperidin-1-ium-1-yl]ethyl ethanoate

Systemtic Name: 1-[1-[(2-propanoylphenyl)amino]piperidin-1-ium-1-yl]ethyl ethanoate Openeye Name: 1-[1-(2-propanoylanilino)piperidin-1-ium-1-yl]ethyl acetate CAS Name: acetic acid 1-[1-[2-(1-oxopropyl)anilino]-1-piperidin-1-iumyl]ethyl ester IUPAC Name: 1-[1-(2-propanoylanilino)piperidin-1-ium-1-yl]ethyl acetate Traditional Name: acetic acid 1-[1-(2-propionylanilino)piperidin-1-ium-1-yl]ethyl ester Formula: C18H27N2O3+ MolecularWeight: 319.41858

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=CC=C1N[N+]2(CCCCC2)C(C)OC(=O)C

Isomeric SMILES

CCC(=O)C1=CC=CC=C1N[N+]2(CCCCC2)C(C)OC(=O)C

InChI

InChI=1S/C18H26N2O3/c1-4-18(22)16-10-6-7-11-17(16)19-20(12-8-5-9-13-20)14(2)23-15(3)21/h6-7,10-11,14H,4-5,8-9,12-13H2,1-3H3/p+1