N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1,3-benzoxazol-2-amine

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1,3-benzoxazol-2-amine Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1,3-benzoxazol-2-amine CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-1,3-benzoxazol-2-amine IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-1,3-benzoxazol-2-amine Traditional Name: 1,3-benzoxazol-2-yl-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]amine Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC2=NC3=CC=CC=C3O2)[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC2=NC3=CC=CC=C3O2)[NH+]4CCCCC4

InChI

InChI=1S/C21H25N3O2/c1-25-17-11-9-16(10-12-17)19(24-13-5-2-6-14-24)15-22-21-23-18-7-3-4-8-20(18)26-21/h3-4,7-12,19H,2,5-6,13-15H2,1H3,(H,22,23)/p+1/t19-/m0/s1