2-[2-[(5-bromanyl-1-propyl-pyridin-1-ium-3-yl)carbonyl-phenyl-amino]ethoxycarbonylamino]ethyl N-(4-phenylbutyl)carbamate

Systemtic Name: 2-[2-[(5-bromanyl-1-propyl-pyridin-1-ium-3-yl)carbonyl-phenyl-amino]ethoxycarbonylamino]ethyl N-(4-phenylbutyl)carbamate Openeye Name: 2-[2-(N-(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)anilino)ethoxycarbonylamino]ethyl N-(4-phenylbutyl)carbamate CAS Name: N-[2-[oxo-(4-phenylbutylamino)methoxy]ethyl]carbamic acid 2-(N-[(5-bromo-1-propyl-3-pyridin-1-iumyl)-oxomethyl]anilino)ethyl ester IUPAC Name: 2-[2-(N-(5-bromo-1-propylpyridin-1-ium-3-carbonyl)anilino)ethoxycarbonylamino]ethyl N-(4-phenylbutyl)carbamate Traditional Name: N-(4-phenylbutyl)carbamic acid 2-[2-(N-(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)anilino)ethoxycarbonylamino]ethyl ester Formula: C31H38BrN4O5+ MolecularWeight: 626.56122

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC(=CC(=C1)Br)C(=O)N(CCOC(=O)NCCOC(=O)NCCCCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCC[N+]1=CC(=CC(=C1)Br)C(=O)N(CCOC(=O)NCCOC(=O)NCCCCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C31H37BrN4O5/c1-2-18-35-23-26(22-27(32)24-35)29(37)36(28-14-7-4-8-15-28)19-21-41-31(39)34-17-20-40-30(38)33-16-10-9-13-25-11-5-3-6-12-25/h3-8,11-12,14-15,22-24H,2,9-10,13,16-21H2,1H3,(H-,33,34,38,39)/p+1