ethyl-[[6-oxidanylidene-5-(thiophen-3-ylmethylcarbamoyl)-1H-pyridin-2-yl]methyl]-(phenylmethyl)azanium

Systemtic Name: ethyl-[[6-oxidanylidene-5-(thiophen-3-ylmethylcarbamoyl)-1H-pyridin-2-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-ethyl-[[6-oxo-5-(3-thienylmethylcarbamoyl)-1H-pyridin-2-yl]methyl]ammonium CAS Name: ethyl-[[6-oxo-5-[oxo-(3-thiophenylmethylamino)methyl]-1H-pyridin-2-yl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-ethyl-[[6-oxo-5-(thiophen-3-ylmethylcarbamoyl)-1H-pyridin-2-yl]methyl]azanium Traditional Name: benzyl-ethyl-[[6-keto-5-(3-thenylcarbamoyl)-1H-pyridin-2-yl]methyl]ammonium Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC2=CC=C(C(=O)N2)C(=O)NCC3=CSC=C3

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC2=CC=C(C(=O)N2)C(=O)NCC3=CSC=C3

InChI

InChI=1S/C21H23N3O2S/c1-2-24(13-16-6-4-3-5-7-16)14-18-8-9-19(21(26)23-18)20(25)22-12-17-10-11-27-15-17/h3-11,15H,2,12-14H2,1H3,(H,22,25)(H,23,26)/p+1