3-(5-methyl-1,3-benzoxazol-2-yl)-N-propyl-pyridin-1-ium-2-amine

Systemtic Name: 3-(5-methyl-1,3-benzoxazol-2-yl)-N-propyl-pyridin-1-ium-2-amine Openeye Name: 3-(5-methyl-1,3-benzoxazol-2-yl)-N-propyl-pyridin-1-ium-2-amine CAS Name: 3-(5-methyl-1,3-benzoxazol-2-yl)-N-propyl-2-pyridin-1-iumamine IUPAC Name: 3-(5-methyl-1,3-benzoxazol-2-yl)-N-propylpyridin-1-ium-2-amine Traditional Name: [3-(5-methyl-1,3-benzoxazol-2-yl)pyridin-1-ium-2-yl]-propyl-amine Formula: C16H18N3O+ MolecularWeight: 268.33362

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=CC=[NH+]1)C2=NC3=C(O2)C=CC(=C3)C

Isomeric SMILES

CCCNC1=C(C=CC=[NH+]1)C2=NC3=C(O2)C=CC(=C3)C

InChI

InChI=1S/C16H17N3O/c1-3-8-17-15-12(5-4-9-18-15)16-19-13-10-11(2)6-7-14(13)20-16/h4-7,9-10H,3,8H2,1-2H3,(H,17,18)/p+1