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

Systemtic Name: ethyl 4-[3-[(3-bromophenyl)amino]-3-oxidanylidene-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[3-(3-bromoanilino)-3-oxo-propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[3-(3-bromoanilino)-3-oxopropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(3-bromoanilino)-3-oxopropyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[3-(3-bromoanilino)-3-keto-propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C16H23BrN3O3+ MolecularWeight: 385.27612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CCC(=O)NC2=CC(=CC=C2)Br

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CCC(=O)NC2=CC(=CC=C2)Br

InChI

InChI=1S/C16H22BrN3O3/c1-2-23-16(22)20-10-8-19(9-11-20)7-6-15(21)18-14-5-3-4-13(17)12-14/h3-5,12H,2,6-11H2,1H3,(H,18,21)/p+1