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

Systemtic Name: ethyl 1-[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H26BrN2O3+ MolecularWeight: 398.31464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC(C)C2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)N[C@H](C)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H25BrN2O3/c1-3-24-18(23)15-8-10-21(11-9-15)12-17(22)20-13(2)14-4-6-16(19)7-5-14/h4-7,13,15H,3,8-12H2,1-2H3,(H,20,22)/p+1/t13-/m1/s1