[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-phenyl]methyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-phenyl]methyl-(pyridin-4-ylmethyl)azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-chloro-5-methoxy-phenyl]methyl-(4-pyridylmethyl)ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-(pyridin-4-ylmethyl)azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-chloro-5-methoxy-benzyl]-(4-pyridylmethyl)ammonium Formula: C16H19ClN3O3+ MolecularWeight: 336.79336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC=NC=C2)Cl)OCC(=O)N

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC=NC=C2)Cl)OCC(=O)N

InChI

InChI=1S/C16H18ClN3O3/c1-22-14-7-12(6-13(17)16(14)23-10-15(18)21)9-20-8-11-2-4-19-5-3-11/h2-7,20H,8-10H2,1H3,(H2,18,21)/p+1