5-chloranyl-N-[2-[(3-methylthiophen-2-yl)methyl]-1H-pyrazol-2-ium-3-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: 5-chloranyl-N-[2-[(3-methylthiophen-2-yl)methyl]-1H-pyrazol-2-ium-3-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: 5-chloro-N-[2-[(3-methyl-2-thienyl)methyl]-1H-pyrazol-2-ium-3-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: 5-chloro-N-[2-[(3-methyl-2-thiophenyl)methyl]-1H-pyrazol-2-ium-3-yl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: 5-chloro-N-[2-[(3-methylthiophen-2-yl)methyl]-1H-pyrazol-2-ium-3-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: 5-chloro-N-[2-[(3-methyl-2-thienyl)methyl]-1H-pyrazol-2-ium-3-yl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C18H17ClN3O3S+ MolecularWeight: 390.86388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[N+]2=C(C=CN2)NC(=O)C3=CC4=C(C(=C3)Cl)OCCO4

Isomeric SMILES

CC1=C(SC=C1)C[N+]2=C(C=CN2)NC(=O)C3=CC4=C(C(=C3)Cl)OCCO4

InChI

InChI=1S/C18H16ClN3O3S/c1-11-3-7-26-15(11)10-22-16(2-4-20-22)21-18(23)12-8-13(19)17-14(9-12)24-5-6-25-17/h2-4,7-9H,5-6,10H2,1H3,(H,20,21,23)/p+1