2-(6-aminocarbonyl-3-aminocarbonyloxy-4-ethyl-5-phenyl-1-propyl-pyridin-1-ium-2-yl)ethyl N-(4-phenylbutyl)carbamate

Systemtic Name: 2-(6-aminocarbonyl-3-aminocarbonyloxy-4-ethyl-5-phenyl-1-propyl-pyridin-1-ium-2-yl)ethyl N-(4-phenylbutyl)carbamate Openeye Name: 2-(6-carbamoyl-3-carbamoyloxy-4-ethyl-5-phenyl-1-propyl-pyridin-1-ium-2-yl)ethyl N-(4-phenylbutyl)carbamate CAS Name: N-(4-phenylbutyl)carbamic acid 2-(6-carbamoyl-3-carbamoyloxy-4-ethyl-5-phenyl-1-propyl-2-pyridin-1-iumyl)ethyl ester IUPAC Name: 2-(6-carbamoyl-3-carbamoyloxy-4-ethyl-5-phenyl-1-propylpyridin-1-ium-2-yl)ethyl N-(4-phenylbutyl)carbamate Traditional Name: N-(4-phenylbutyl)carbamic acid 2-(6-carbamoyl-3-carbamoyloxy-4-ethyl-5-phenyl-1-propyl-pyridin-1-ium-2-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(=C1CCOC(=O)NCCCCC2=CC=CC=C2)OC(=O)N)CC)C3=CC=CC=C3)C(=O)N

Isomeric SMILES

CCC[N+]1=C(C(=C(C(=C1CCOC(=O)NCCCCC2=CC=CC=C2)OC(=O)N)CC)C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C31H38N4O5/c1-3-20-35-25(18-21-39-31(38)34-19-12-11-15-22-13-7-5-8-14-22)28(40-30(33)37)24(4-2)26(27(35)29(32)36)23-16-9-6-10-17-23/h5-10,13-14,16-17H,3-4,11-12,15,18-21H2,1-2H3,(H4-,32,33,34,36,37,38)/p+1