2-hydroxyethyl-[[6-oxidanylidene-5-[[(1S)-1-thiophen-2-ylethyl]carbamoyl]-1H-pyridin-2-yl]methyl]-(phenylmethyl)azanium

Systemtic Name: 2-hydroxyethyl-[[6-oxidanylidene-5-[[(1S)-1-thiophen-2-ylethyl]carbamoyl]-1H-pyridin-2-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-(2-hydroxyethyl)-[[6-oxo-5-[[(1S)-1-(2-thienyl)ethyl]carbamoyl]-1H-pyridin-2-yl]methyl]ammonium CAS Name: 2-hydroxyethyl-[[6-oxo-5-[oxo-[[(1S)-1-thiophen-2-ylethyl]amino]methyl]-1H-pyridin-2-yl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-(2-hydroxyethyl)-[[6-oxo-5-[[(1S)-1-thiophen-2-ylethyl]carbamoyl]-1H-pyridin-2-yl]methyl]azanium Traditional Name: benzyl-(2-hydroxyethyl)-[[6-keto-5-[[(1S)-1-(2-thienyl)ethyl]carbamoyl]-1H-pyridin-2-yl]methyl]ammonium Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC(=O)C2=CC=C(NC2=O)C[NH+](CCO)CC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C1=CC=CS1)NC(=O)C2=CC=C(NC2=O)C[NH+](CCO)CC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3S/c1-16(20-8-5-13-29-20)23-21(27)19-10-9-18(24-22(19)28)15-25(11-12-26)14-17-6-3-2-4-7-17/h2-10,13,16,26H,11-12,14-15H2,1H3,(H,23,27)(H,24,28)/p+1/t16-/m0/s1