2-[3-[(5-bromanyl-1-propyl-pyridin-1-ium-3-yl)carbonyl-phenyl-amino]propanoylamino]ethyl N-naphthalen-1-ylcarbamate

Systemtic Name: 2-[3-[(5-bromanyl-1-propyl-pyridin-1-ium-3-yl)carbonyl-phenyl-amino]propanoylamino]ethyl N-naphthalen-1-ylcarbamate Openeye Name: 2-[3-(N-(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)anilino)propanoylamino]ethyl N-(1-naphthyl)carbamate CAS Name: N-(1-naphthalenyl)carbamic acid 2-[[3-(N-[(5-bromo-1-propyl-3-pyridin-1-iumyl)-oxomethyl]anilino)-1-oxopropyl]amino]ethyl ester IUPAC Name: 2-[3-(N-(5-bromo-1-propylpyridin-1-ium-3-carbonyl)anilino)propanoylamino]ethyl N-naphthalen-1-ylcarbamate Traditional Name: N-(1-naphthyl)carbamic acid 2-[3-(N-(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)anilino)propanoylamino]ethyl ester Formula: C31H32BrN4O4+ MolecularWeight: 604.51418

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC(=CC(=C1)Br)C(=O)N(CCC(=O)NCCOC(=O)NC2=CC=CC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CCC[N+]1=CC(=CC(=C1)Br)C(=O)N(CCC(=O)NCCOC(=O)NC2=CC=CC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C31H31BrN4O4/c1-2-17-35-21-24(20-25(32)22-35)30(38)36(26-11-4-3-5-12-26)18-15-29(37)33-16-19-40-31(39)34-28-14-8-10-23-9-6-7-13-27(23)28/h3-14,20-22H,2,15-19H2,1H3,(H-,33,34,37,39)/p+1