2-naphthalen-1-yloxyethyl 4-(5-bromanyl-1-ethyl-pyridin-1-ium-3-yl)carbonylpiperazine-1-carboxylate

Systemtic Name: 2-naphthalen-1-yloxyethyl 4-(5-bromanyl-1-ethyl-pyridin-1-ium-3-yl)carbonylpiperazine-1-carboxylate Openeye Name: 2-(1-naphthyloxy)ethyl 4-(5-bromo-1-ethyl-pyridin-1-ium-3-carbonyl)piperazine-1-carboxylate CAS Name: 4-[(5-bromo-1-ethyl-3-pyridin-1-iumyl)-oxomethyl]-1-piperazinecarboxylic acid 2-(1-naphthalenyloxy)ethyl ester IUPAC Name: 2-naphthalen-1-yloxyethyl 4-(5-bromo-1-ethylpyridin-1-ium-3-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(5-bromo-1-ethyl-pyridin-1-ium-3-carbonyl)piperazine-1-carboxylic acid 2-(1-naphthoxy)ethyl ester Formula: C25H27BrN3O4+ MolecularWeight: 513.40358

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC(=CC(=C1)Br)C(=O)N2CCN(CC2)C(=O)OCCOC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC[N+]1=CC(=CC(=C1)Br)C(=O)N2CCN(CC2)C(=O)OCCOC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H27BrN3O4/c1-2-27-17-20(16-21(26)18-27)24(30)28-10-12-29(13-11-28)25(31)33-15-14-32-23-9-5-7-19-6-3-4-8-22(19)23/h3-9,16-18H,2,10-15H2,1H3/q+1