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

Systemtic Name: 2-[4-aminocarbonyl-5-ethyl-6-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethyl N-(phenylmethyl)carbamate Openeye Name: 2-[4-carbamoyl-5-ethyl-6-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethyl N-benzylcarbamate CAS Name: N-(phenylmethyl)carbamic acid 2-[6-[anilino(oxo)methyl]-4-carbamoyl-5-ethyl-1-propyl-3-pyridin-1-iumyl]ethyl ester IUPAC Name: 2-[4-carbamoyl-5-ethyl-6-(phenylcarbamoyl)-1-propylpyridin-1-ium-3-yl]ethyl N-benzylcarbamate Traditional Name: N-benzylcarbamic acid 2-[4-carbamoyl-5-ethyl-6-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethyl ester Formula: C28H33N4O4+ MolecularWeight: 489.58602

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(C(=C(C(=C1)CCOC(=O)NCC2=CC=CC=C2)C(=O)N)CC)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCC[N+]1=C(C(=C(C(=C1)CCOC(=O)NCC2=CC=CC=C2)C(=O)N)CC)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C28H32N4O4/c1-3-16-32-19-21(15-17-36-28(35)30-18-20-11-7-5-8-12-20)24(26(29)33)23(4-2)25(32)27(34)31-22-13-9-6-10-14-22/h5-14,19H,3-4,15-18H2,1-2H3,(H3-,29,30,31,33,34,35)/p+1