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

Systemtic Name: 2-[2-[(5-bromanyl-1-propyl-pyridin-1-ium-3-yl)carbonyl-phenyl-amino]ethoxycarbonylamino]ethyl N-hexan-2-ylcarbamate Openeye Name: 2-[2-(N-(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)anilino)ethoxycarbonylamino]ethyl N-(1-methylpentyl)carbamate CAS Name: N-hexan-2-ylcarbamic 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 N-hexan-2-ylcarbamate Traditional Name: N-(1-methylpentyl)carbamic acid 2-[2-(N-(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)anilino)ethoxycarbonylamino]ethyl ester Formula: C27H38BrN4O5+ MolecularWeight: 578.51842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)NC(=O)OCCNC(=O)OCCN(C1=CC=CC=C1)C(=O)C2=CC(=C[N+](=C2)CCC)Br

Isomeric SMILES

CCCCC(C)NC(=O)OCCNC(=O)OCCN(C1=CC=CC=C1)C(=O)C2=CC(=C[N+](=C2)CCC)Br

InChI

InChI=1S/C27H37BrN4O5/c1-4-6-10-21(3)30-27(35)36-16-13-29-26(34)37-17-15-32(24-11-8-7-9-12-24)25(33)22-18-23(28)20-31(19-22)14-5-2/h7-9,11-12,18-21H,4-6,10,13-17H2,1-3H3,(H-,29,30,34,35)/p+1