3-chloranyl-6-methyl-N-(pyridin-1-ium-3-ylmethyl)-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-6-methyl-N-(pyridin-1-ium-3-ylmethyl)-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-methyl-N-(pyridin-1-ium-3-ylmethyl)benzothiophene-2-carboxamide CAS Name: 3-chloro-6-methyl-N-(3-pyridin-1-iumylmethyl)-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-methyl-N-(pyridin-1-ium-3-ylmethyl)-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-methyl-N-(pyridin-1-ium-3-ylmethyl)benzothiophene-2-carboxamide Formula: C16H14ClN2OS+ MolecularWeight: 317.81316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(S2)C(=O)NCC3=C[NH+]=CC=C3)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(S2)C(=O)NCC3=C[NH+]=CC=C3)Cl

InChI

InChI=1S/C16H13ClN2OS/c1-10-4-5-12-13(7-10)21-15(14(12)17)16(20)19-9-11-3-2-6-18-8-11/h2-8H,9H2,1H3,(H,19,20)/p+1