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

Systemtic Name: ethyl-[[6-oxidanylidene-5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]-1H-pyridin-2-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-ethyl-[[6-oxo-5-[[(1R)-1-(2-thienyl)ethyl]carbamoyl]-1H-pyridin-2-yl]methyl]ammonium CAS Name: ethyl-[[6-oxo-5-[oxo-[[(1R)-1-thiophen-2-ylethyl]amino]methyl]-1H-pyridin-2-yl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-ethyl-[[6-oxo-5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]-1H-pyridin-2-yl]methyl]azanium Traditional Name: benzyl-ethyl-[[6-keto-5-[[(1R)-1-(2-thienyl)ethyl]carbamoyl]-1H-pyridin-2-yl]methyl]ammonium Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC2=CC=C(C(=O)N2)C(=O)NC(C)C3=CC=CS3

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC2=CC=C(C(=O)N2)C(=O)N[C@H](C)C3=CC=CS3

InChI

InChI=1S/C22H25N3O2S/c1-3-25(14-17-8-5-4-6-9-17)15-18-11-12-19(22(27)24-18)21(26)23-16(2)20-10-7-13-28-20/h4-13,16H,3,14-15H2,1-2H3,(H,23,26)(H,24,27)/p+1/t16-/m1/s1