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

Systemtic Name: 2-naphthalen-1-yloxyethyl 4-(5-bromanyl-1-propyl-pyridin-1-ium-3-yl)carbonylpiperazine-1-carboxylate Openeye Name: 2-(1-naphthyloxy)ethyl 4-(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)piperazine-1-carboxylate CAS Name: 4-[(5-bromo-1-propyl-3-pyridin-1-iumyl)-oxomethyl]-1-piperazinecarboxylic acid 2-(1-naphthalenyloxy)ethyl ester IUPAC Name: 2-naphthalen-1-yloxyethyl 4-(5-bromo-1-propylpyridin-1-ium-3-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)piperazine-1-carboxylic acid 2-(1-naphthoxy)ethyl ester Formula: C26H29BrN3O4+ MolecularWeight: 527.43016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29BrN3O4/c1-2-10-28-18-21(17-22(27)19-28)25(31)29-11-13-30(14-12-29)26(32)34-16-15-33-24-9-5-7-20-6-3-4-8-23(20)24/h3-9,17-19H,2,10-16H2,1H3/q+1