2-[2-[2-(1-azanyl-1-oxidanylidene-butan-2-yl)-1-phenyl-pyridin-1-ium-3-yl]ethoxycarbonylamino]propyl N-naphthalen-1-ylcarbamate chloride

Systemtic Name: 2-[2-[2-(1-azanyl-1-oxidanylidene-butan-2-yl)-1-phenyl-pyridin-1-ium-3-yl]ethoxycarbonylamino]propyl N-naphthalen-1-ylcarbamate chloride Openeye Name: 2-[2-(1-carbamoylpropyl)-1-phenyl-pyridin-1-ium-3-yl]ethyl N-[1-methyl-2-(1-naphthylcarbamoyloxy)ethyl]carbamate chloride CAS Name: N-(1-naphthalenyl)carbamic acid 2-[[2-[2-(1-amino-1-oxobutan-2-yl)-1-phenyl-3-pyridin-1-iumyl]ethoxy-oxomethyl]amino]propyl ester chloride IUPAC Name: 2-[2-[2-(1-amino-1-oxobutan-2-yl)-1-phenylpyridin-1-ium-3-yl]ethoxycarbonylamino]propyl N-naphthalen-1-ylcarbamate chloride Traditional Name: N-[1-methyl-2-(1-naphthylcarbamoyloxy)ethyl]carbamic acid 2-[2-(1-carbamoylpropyl)-1-phenyl-pyridin-1-ium-3-yl]ethyl ester chloride Formula: C32H35ClN4O5 MolecularWeight: 591.0971

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=CC=[N+]1C2=CC=CC=C2)CCOC(=O)NC(C)COC(=O)NC3=CC=CC4=CC=CC=C43)C(=O)N.[Cl-]

Isomeric SMILES

CCC(C1=C(C=CC=[N+]1C2=CC=CC=C2)CCOC(=O)NC(C)COC(=O)NC3=CC=CC4=CC=CC=C43)C(=O)N.[Cl-]

InChI

InChI=1S/C32H34N4O5.ClH/c1-3-26(30(33)37)29-24(13-10-19-36(29)25-14-5-4-6-15-25)18-20-40-31(38)34-22(2)21-41-32(39)35-28-17-9-12-23-11-7-8-16-27(23)28;/h4-17,19,22,26H,3,18,20-21H2,1-2H3,(H3-,33,34,35,37,38,39);1H