2-[2-[(5-bromanyl-1-propyl-pyridin-1-ium-3-yl)carbonyl-phenyl-amino]ethoxycarbonylamino]ethyl 4-phenylpiperidine-1-carboxylate chloride

Systemtic Name: 2-[2-[(5-bromanyl-1-propyl-pyridin-1-ium-3-yl)carbonyl-phenyl-amino]ethoxycarbonylamino]ethyl 4-phenylpiperidine-1-carboxylate chloride Openeye Name: 2-[2-(N-(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)anilino)ethoxycarbonylamino]ethyl 4-phenylpiperidine-1-carboxylate chloride CAS Name: 4-phenyl-1-piperidinecarboxylic acid 2-[[2-(N-[(5-bromo-1-propyl-3-pyridin-1-iumyl)-oxomethyl]anilino)ethoxy-oxomethyl]amino]ethyl ester chloride IUPAC Name: 2-[2-(N-(5-bromo-1-propylpyridin-1-ium-3-carbonyl)anilino)ethoxycarbonylamino]ethyl 4-phenylpiperidine-1-carboxylate chloride Traditional Name: 4-phenylpiperidine-1-carboxylic acid 2-[2-(N-(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)anilino)ethoxycarbonylamino]ethyl ester chloride Formula: C32H38BrClN4O5 MolecularWeight: 674.02492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC(=CC(=C1)Br)C(=O)N(CCOC(=O)NCCOC(=O)N2CCC(CC2)C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CCC[N+]1=CC(=CC(=C1)Br)C(=O)N(CCOC(=O)NCCOC(=O)N2CCC(CC2)C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C32H37BrN4O5.ClH/c1-2-16-35-23-27(22-28(33)24-35)30(38)37(29-11-7-4-8-12-29)19-21-41-31(39)34-15-20-42-32(40)36-17-13-26(14-18-36)25-9-5-3-6-10-25;/h3-12,22-24,26H,2,13-21H2,1H3;1H