1-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C16H23BrN3O2+ MolecularWeight: 369.27672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Br)NC(=O)C[NH+]2CCC(CC2)C(=O)N

Isomeric SMILES

C[C@H](C1=CC=CC=C1Br)NC(=O)C[NH+]2CCC(CC2)C(=O)N

InChI

InChI=1S/C16H22BrN3O2/c1-11(13-4-2-3-5-14(13)17)19-15(21)10-20-8-6-12(7-9-20)16(18)22/h2-5,11-12H,6-10H2,1H3,(H2,18,22)(H,19,21)/p+1/t11-/m1/s1