3-chloranyl-N-[4-(pyridin-1-ium-4-ylmethyl)phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[4-(pyridin-1-ium-4-ylmethyl)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-(pyridin-1-ium-4-ylmethyl)phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-(4-pyridin-1-iumylmethyl)phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-(pyridin-1-ium-4-ylmethyl)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-(pyridin-1-ium-4-ylmethyl)phenyl]benzothiophene-2-carboxamide Formula: C21H16ClN2OS+ MolecularWeight: 379.88254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=CC=C(C=C3)CC4=CC=[NH+]C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=CC=C(C=C3)CC4=CC=[NH+]C=C4)Cl

InChI

InChI=1S/C21H15ClN2OS/c22-19-17-3-1-2-4-18(17)26-20(19)21(25)24-16-7-5-14(6-8-16)13-15-9-11-23-12-10-15/h1-12H,13H2,(H,24,25)/p+1