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

Systemtic Name: [2-[2-[(5-bromanyl-1-propyl-pyridin-1-ium-3-yl)carbonyl-phenyl-amino]ethoxycarbonylamino]-1-phenyl-ethyl] N-butylcarbamate Openeye Name: [2-[2-(N-(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)anilino)ethoxycarbonylamino]-1-phenyl-ethyl] N-butylcarbamate CAS Name: N-butylcarbamic acid [2-[[2-(N-[(5-bromo-1-propyl-3-pyridin-1-iumyl)-oxomethyl]anilino)ethoxy-oxomethyl]amino]-1-phenylethyl] ester IUPAC Name: [2-[2-(N-(5-bromo-1-propylpyridin-1-ium-3-carbonyl)anilino)ethoxycarbonylamino]-1-phenylethyl] N-butylcarbamate Traditional Name: N-butylcarbamic acid [2-[2-(N-(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)anilino)ethoxycarbonylamino]-1-phenyl-ethyl] ester Formula: C31H38BrN4O5+ MolecularWeight: 626.56122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)OC(CNC(=O)OCCN(C1=CC=CC=C1)C(=O)C2=CC(=C[N+](=C2)CCC)Br)C3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)OC(CNC(=O)OCCN(C1=CC=CC=C1)C(=O)C2=CC(=C[N+](=C2)CCC)Br)C3=CC=CC=C3

InChI

InChI=1S/C31H37BrN4O5/c1-3-5-16-33-31(39)41-28(24-12-8-6-9-13-24)21-34-30(38)40-19-18-36(27-14-10-7-11-15-27)29(37)25-20-26(32)23-35(22-25)17-4-2/h6-15,20,22-23,28H,3-5,16-19,21H2,1-2H3,(H-,33,34,38,39)/p+1