ethyl 1-[3-[(4-bromanyl-3-methyl-phenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[3-[(4-bromanyl-3-methyl-phenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[3-(4-bromo-3-methyl-anilino)-3-oxo-propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[3-(4-bromo-3-methylanilino)-3-oxopropyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(4-bromo-3-methylanilino)-3-oxopropyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[3-(4-bromo-3-methyl-anilino)-3-keto-propyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H26BrN2O3+ MolecularWeight: 398.31464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CCC(=O)NC2=CC(=C(C=C2)Br)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CCC(=O)NC2=CC(=C(C=C2)Br)C

InChI

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