2-methyl-N-[3-oxidanylidene-3-[(3-oxidanylpyridin-1-ium-2-yl)amino]propyl]benzamide

Systemtic Name: 2-methyl-N-[3-oxidanylidene-3-[(3-oxidanylpyridin-1-ium-2-yl)amino]propyl]benzamide Openeye Name: N-[3-[(3-hydroxypyridin-1-ium-2-yl)amino]-3-oxo-propyl]-2-methyl-benzamide CAS Name: N-[3-[(3-hydroxy-2-pyridin-1-iumyl)amino]-3-oxopropyl]-2-methylbenzamide IUPAC Name: N-[3-[(3-hydroxypyridin-1-ium-2-yl)amino]-3-oxopropyl]-2-methylbenzamide Traditional Name: N-[3-[(3-hydroxypyridin-1-ium-2-yl)amino]-3-keto-propyl]-2-methyl-benzamide Formula: C16H18N3O3+ MolecularWeight: 300.33242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCC(=O)NC2=C(C=CC=[NH+]2)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCC(=O)NC2=C(C=CC=[NH+]2)O

InChI

InChI=1S/C16H17N3O3/c1-11-5-2-3-6-12(11)16(22)18-10-8-14(21)19-15-13(20)7-4-9-17-15/h2-7,9,20H,8,10H2,1H3,(H,18,22)(H,17,19,21)/p+1