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

Systemtic Name: ethyl 1-[3-[(3-bromophenyl)amino]-3-oxidanylidene-propyl]-4-phenyl-piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[3-(3-bromoanilino)-3-oxo-propyl]-4-phenyl-piperidin-1-ium-4-carboxylate CAS Name: 1-[3-(3-bromoanilino)-3-oxopropyl]-4-phenyl-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(3-bromoanilino)-3-oxopropyl]-4-phenylpiperidin-1-ium-4-carboxylate Traditional Name: 1-[3-(3-bromoanilino)-3-keto-propyl]-4-phenyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H28BrN2O3+ MolecularWeight: 460.38402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CCC(=O)NC2=CC(=CC=C2)Br)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CCC(=O)NC2=CC(=CC=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C23H27BrN2O3/c1-2-29-22(28)23(18-7-4-3-5-8-18)12-15-26(16-13-23)14-11-21(27)25-20-10-6-9-19(24)17-20/h3-10,17H,2,11-16H2,1H3,(H,25,27)/p+1