2-methyl-N'-[1-oxidanylidene-3-(4-phenylmethoxyphenyl)-1-(2-pyridin-1-ium-1-ylethylamino)propan-2-yl]pentanediamide

Systemtic Name: 2-methyl-N'-[1-oxidanylidene-3-(4-phenylmethoxyphenyl)-1-(2-pyridin-1-ium-1-ylethylamino)propan-2-yl]pentanediamide Openeye Name: N'-[1-[(4-benzyloxyphenyl)methyl]-2-oxo-2-(2-pyridin-1-ium-1-ylethylamino)ethyl]-2-methyl-pentanediamide CAS Name: 2-methyl-N'-[1-oxo-3-(4-phenylmethoxyphenyl)-1-[2-(1-pyridin-1-iumyl)ethylamino]propan-2-yl]pentanediamide IUPAC Name: 2-methyl-N'-[1-oxo-3-(4-phenylmethoxyphenyl)-1-(2-pyridin-1-ium-1-ylethylamino)propan-2-yl]pentanediamide Traditional Name: N'-[1-(4-benzoxybenzyl)-2-keto-2-(2-pyridin-1-ium-1-ylethylamino)ethyl]-2-methyl-glutaramide Formula: C29H35N4O4+ MolecularWeight: 503.6126

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NCC[N+]3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC(CCC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NCC[N+]3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C29H34N4O4/c1-22(28(30)35)10-15-27(34)32-26(29(36)31-16-19-33-17-6-3-7-18-33)20-23-11-13-25(14-12-23)37-21-24-8-4-2-5-9-24/h2-9,11-14,17-18,22,26H,10,15-16,19-21H2,1H3,(H3-,30,31,32,34,35,36)/p+1