ethyl 2-[(4-bromophenyl)-(2-piperidin-1-ium-1-ylethanoyl)amino]ethanoate

Systemtic Name: ethyl 2-[(4-bromophenyl)-(2-piperidin-1-ium-1-ylethanoyl)amino]ethanoate Openeye Name: ethyl 2-(4-bromo-N-(2-piperidin-1-ium-1-ylacetyl)anilino)acetate CAS Name: 2-(4-bromo-N-[1-oxo-2-(1-piperidin-1-iumyl)ethyl]anilino)acetic acid ethyl ester IUPAC Name: ethyl 2-(4-bromo-N-(2-piperidin-1-ium-1-ylacetyl)anilino)acetate Traditional Name: 2-(4-bromo-N-(2-piperidin-1-ium-1-ylacetyl)anilino)acetic acid ethyl ester Formula: C17H24BrN2O3+ MolecularWeight: 384.28806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC=C(C=C1)Br)C(=O)C[NH+]2CCCCC2

Isomeric SMILES

CCOC(=O)CN(C1=CC=C(C=C1)Br)C(=O)C[NH+]2CCCCC2

InChI

InChI=1S/C17H23BrN2O3/c1-2-23-17(22)13-20(15-8-6-14(18)7-9-15)16(21)12-19-10-4-3-5-11-19/h6-9H,2-5,10-13H2,1H3/p+1