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

Systemtic Name: 2-[3-[(5-bromanyl-1-propyl-pyridin-1-ium-3-yl)carbonyl-phenyl-amino]propanoylamino]ethyl N-(phenylmethyl)carbamate Openeye Name: 2-[3-(N-(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)anilino)propanoylamino]ethyl N-benzylcarbamate CAS Name: N-(phenylmethyl)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-benzylcarbamate Traditional Name: N-benzylcarbamic acid 2-[3-(N-(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)anilino)propanoylamino]ethyl ester Formula: C28H32BrN4O4+ MolecularWeight: 568.48208

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC(=CC(=C1)Br)C(=O)N(CCC(=O)NCCOC(=O)NCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCC[N+]1=CC(=CC(=C1)Br)C(=O)N(CCC(=O)NCCOC(=O)NCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C28H31BrN4O4/c1-2-15-32-20-23(18-24(29)21-32)27(35)33(25-11-7-4-8-12-25)16-13-26(34)30-14-17-37-28(36)31-19-22-9-5-3-6-10-22/h3-12,18,20-21H,2,13-17,19H2,1H3,(H-,30,31,34,36)/p+1