3-[[(S)-(3,5-dimethoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]amino]propanamide

Systemtic Name: 3-[[(S)-(3,5-dimethoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]amino]propanamide Openeye Name: 3-[[(S)-(3,5-dimethoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]amino]propanamide CAS Name: 3-[[(S)-(3,5-dimethoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]amino]propanamide IUPAC Name: 3-[[(S)-(3,5-dimethoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]amino]propanamide Traditional Name: 3-[[(S)-(3,5-dimethoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]amino]propionamide Formula: C16H23N4O3+ MolecularWeight: 319.37882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC=C1)C(C2=CC(=CC(=C2)OC)OC)NCCC(=O)N

Isomeric SMILES

C[N+]1=C(NC=C1)[C@H](C2=CC(=CC(=C2)OC)OC)NCCC(=O)N

InChI

InChI=1S/C16H22N4O3/c1-20-7-6-19-16(20)15(18-5-4-14(17)21)11-8-12(22-2)10-13(9-11)23-3/h6-10,15,18H,4-5H2,1-3H3,(H2,17,21)/p+1/t15-/m0/s1