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

Systemtic Name: 2-[2-[(5-bromanyl-1-propyl-pyridin-1-ium-3-yl)carbonyl-phenyl-amino]ethoxycarbonylamino]ethyl piperidine-1-carboxylate Openeye Name: 2-[2-(N-(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)anilino)ethoxycarbonylamino]ethyl piperidine-1-carboxylate CAS Name: 1-piperidinecarboxylic acid 2-[[2-(N-[(5-bromo-1-propyl-3-pyridin-1-iumyl)-oxomethyl]anilino)ethoxy-oxomethyl]amino]ethyl ester IUPAC Name: 2-[2-(N-(5-bromo-1-propylpyridin-1-ium-3-carbonyl)anilino)ethoxycarbonylamino]ethyl piperidine-1-carboxylate Traditional Name: piperidine-1-carboxylic acid 2-[2-(N-(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)anilino)ethoxycarbonylamino]ethyl ester Formula: C26H34BrN4O5+ MolecularWeight: 562.47596

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC(=CC(=C1)Br)C(=O)N(CCOC(=O)NCCOC(=O)N2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

CCC[N+]1=CC(=CC(=C1)Br)C(=O)N(CCOC(=O)NCCOC(=O)N2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C26H33BrN4O5/c1-2-12-29-19-21(18-22(27)20-29)24(32)31(23-9-5-3-6-10-23)15-17-35-25(33)28-11-16-36-26(34)30-13-7-4-8-14-30/h3,5-6,9-10,18-20H,2,4,7-8,11-17H2,1H3/p+1