N-[[4,7-bis(chloranyl)-1,3-benzoxazol-2-yl]methyl]-5-ethyl-6-methyl-1-oxidanidyl-pyridin-1-ium-3-amine

Systemtic Name: N-[[4,7-bis(chloranyl)-1,3-benzoxazol-2-yl]methyl]-5-ethyl-6-methyl-1-oxidanidyl-pyridin-1-ium-3-amine Openeye Name: N-[(4,7-dichloro-1,3-benzoxazol-2-yl)methyl]-5-ethyl-6-methyl-1-oxido-pyridin-1-ium-3-amine CAS Name: N-[(4,7-dichloro-1,3-benzoxazol-2-yl)methyl]-5-ethyl-6-methyl-1-oxido-3-pyridin-1-iumamine IUPAC Name: N-[(4,7-dichloro-1,3-benzoxazol-2-yl)methyl]-5-ethyl-6-methyl-1-oxidopyridin-1-ium-3-amine Traditional Name: (4,7-dichloro-1,3-benzoxazol-2-yl)methyl-(5-ethyl-6-methyl-1-oxido-pyridin-1-ium-3-yl)amine Formula: C16H15Cl2N3O2 MolecularWeight: 352.2152

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C[N+](=C1C)[O-])NCC2=NC3=C(C=CC(=C3O2)Cl)Cl

Isomeric SMILES

CCC1=CC(=C[N+](=C1C)[O-])NCC2=NC3=C(C=CC(=C3O2)Cl)Cl

InChI

InChI=1S/C16H15Cl2N3O2/c1-3-10-6-11(8-21(22)9(10)2)19-7-14-20-15-12(17)4-5-13(18)16(15)23-14/h4-6,8,19H,3,7H2,1-2H3