3-[(pyridin-1-ium-2-ylamino)methyl]-1,3-benzoxazole-2-thione

Systemtic Name: 3-[(pyridin-1-ium-2-ylamino)methyl]-1,3-benzoxazole-2-thione Openeye Name: 3-[(pyridin-1-ium-2-ylamino)methyl]-1,3-benzoxazole-2-thione CAS Name: 3-[(2-pyridin-1-iumylamino)methyl]-1,3-benzoxazole-2-thione IUPAC Name: 3-[(pyridin-1-ium-2-ylamino)methyl]-1,3-benzoxazole-2-thione Traditional Name: 3-[(pyridin-1-ium-2-ylamino)methyl]-1,3-benzoxazole-2-thione Formula: C13H12N3OS+ MolecularWeight: 258.31888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=S)O2)CNC3=CC=CC=[NH+]3

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=S)O2)CNC3=CC=CC=[NH+]3

InChI

InChI=1S/C13H11N3OS/c18-13-16(9-15-12-7-3-4-8-14-12)10-5-1-2-6-11(10)17-13/h1-8H,9H2,(H,14,15)/p+1