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

Systemtic Name: 2-phenoxyethyl N-[2-[(5-bromanyl-1-propyl-pyridin-1-ium-3-yl)carbonyl-phenyl-amino]ethyl]carbamate Openeye Name: 2-phenoxyethyl N-[2-(N-(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)anilino)ethyl]carbamate CAS Name: N-[2-(N-[(5-bromo-1-propyl-3-pyridin-1-iumyl)-oxomethyl]anilino)ethyl]carbamic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl N-[2-(N-(5-bromo-1-propylpyridin-1-ium-3-carbonyl)anilino)ethyl]carbamate Traditional Name: N-[2-(N-(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)anilino)ethyl]carbamic acid 2-phenoxyethyl ester Formula: C26H29BrN3O4+ MolecularWeight: 527.43016

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC(=CC(=C1)Br)C(=O)N(CCNC(=O)OCCOC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCC[N+]1=CC(=CC(=C1)Br)C(=O)N(CCNC(=O)OCCOC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H28BrN3O4/c1-2-14-29-19-21(18-22(27)20-29)25(31)30(23-9-5-3-6-10-23)15-13-28-26(32)34-17-16-33-24-11-7-4-8-12-24/h3-12,18-20H,2,13-17H2,1H3/p+1