2-[4-aminocarbonyloxy-5-ethyl-6-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethyl N-(4-phenylbutyl)carbamate

Systemtic Name: 2-[4-aminocarbonyloxy-5-ethyl-6-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethyl N-(4-phenylbutyl)carbamate Openeye Name: 2-[4-carbamoyloxy-5-ethyl-6-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethyl N-(4-phenylbutyl)carbamate CAS Name: N-(4-phenylbutyl)carbamic acid 2-[6-[anilino(oxo)methyl]-4-carbamoyloxy-5-ethyl-1-propyl-3-pyridin-1-iumyl]ethyl ester IUPAC Name: 2-[4-carbamoyloxy-5-ethyl-6-(phenylcarbamoyl)-1-propylpyridin-1-ium-3-yl]ethyl N-(4-phenylbutyl)carbamate Traditional Name: N-(4-phenylbutyl)carbamic acid 2-[4-carbamoyloxy-5-ethyl-6-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethyl ester Formula: C31H39N4O5+ MolecularWeight: 547.66516

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(C(=C(C(=C1)CCOC(=O)NCCCCC2=CC=CC=C2)OC(=O)N)CC)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCC[N+]1=C(C(=C(C(=C1)CCOC(=O)NCCCCC2=CC=CC=C2)OC(=O)N)CC)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C31H38N4O5/c1-3-20-35-22-24(18-21-39-31(38)33-19-12-11-15-23-13-7-5-8-14-23)28(40-30(32)37)26(4-2)27(35)29(36)34-25-16-9-6-10-17-25/h5-10,13-14,16-17,22H,3-4,11-12,15,18-21H2,1-2H3,(H3-,32,33,34,36,37,38)/p+1