3-chloranyl-5-methoxy-4-(3-methylbutoxy)-N-(3-oxidanylpyridin-1-ium-2-yl)benzamide

Systemtic Name: 3-chloranyl-5-methoxy-4-(3-methylbutoxy)-N-(3-oxidanylpyridin-1-ium-2-yl)benzamide Openeye Name: 3-chloro-N-(3-hydroxypyridin-1-ium-2-yl)-4-isopentyloxy-5-methoxy-benzamide CAS Name: 3-chloro-N-(3-hydroxy-2-pyridin-1-iumyl)-5-methoxy-4-(3-methylbutoxy)benzamide IUPAC Name: 3-chloro-N-(3-hydroxypyridin-1-ium-2-yl)-5-methoxy-4-(3-methylbutoxy)benzamide Traditional Name: 3-chloro-N-(3-hydroxypyridin-1-ium-2-yl)-4-isoamoxy-5-methoxy-benzamide Formula: C18H22ClN2O4+ MolecularWeight: 365.83128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1Cl)C(=O)NC2=C(C=CC=[NH+]2)O)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1Cl)C(=O)NC2=C(C=CC=[NH+]2)O)OC

InChI

InChI=1S/C18H21ClN2O4/c1-11(2)6-8-25-16-13(19)9-12(10-15(16)24-3)18(23)21-17-14(22)5-4-7-20-17/h4-5,7,9-11,22H,6,8H2,1-3H3,(H,20,21,23)/p+1