3-(5-chloranyl-1,3-benzoxazol-2-yl)-N-[(4-methylphenyl)methyl]pyridin-1-ium-2-amine

Systemtic Name: 3-(5-chloranyl-1,3-benzoxazol-2-yl)-N-[(4-methylphenyl)methyl]pyridin-1-ium-2-amine Openeye Name: 3-(5-chloro-1,3-benzoxazol-2-yl)-N-(p-tolylmethyl)pyridin-1-ium-2-amine CAS Name: 3-(5-chloro-1,3-benzoxazol-2-yl)-N-[(4-methylphenyl)methyl]-2-pyridin-1-iumamine IUPAC Name: 3-(5-chloro-1,3-benzoxazol-2-yl)-N-[(4-methylphenyl)methyl]pyridin-1-ium-2-amine Traditional Name: [3-(5-chloro-1,3-benzoxazol-2-yl)pyridin-1-ium-2-yl]-(4-methylbenzyl)amine Formula: C20H17ClN3O+ MolecularWeight: 350.82148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=C(C=CC=[NH+]2)C3=NC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=C(C=CC=[NH+]2)C3=NC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C20H16ClN3O/c1-13-4-6-14(7-5-13)12-23-19-16(3-2-10-22-19)20-24-17-11-15(21)8-9-18(17)25-20/h2-11H,12H2,1H3,(H,22,23)/p+1