N-[[2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methyl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-[[2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methyl]-1,3-thiazole-4-carboxamide Openeye Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]thiazole-4-carboxamide CAS Name: N-[[2-[methyl-(phenylmethyl)amino]-3-pyridin-1-iumyl]methyl]-4-thiazolecarboxamide IUPAC Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-1,3-thiazole-4-carboxamide Traditional Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]thiazole-4-carboxamide Formula: C18H19N4OS+ MolecularWeight: 339.43466

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=C(C=CC=[NH+]2)CNC(=O)C3=CSC=N3

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=C(C=CC=[NH+]2)CNC(=O)C3=CSC=N3

InChI

InChI=1S/C18H18N4OS/c1-22(11-14-6-3-2-4-7-14)17-15(8-5-9-19-17)10-20-18(23)16-12-24-13-21-16/h2-9,12-13H,10-11H2,1H3,(H,20,23)/p+1