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

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methyl-(pyridin-4-ylmethyl)azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]methyl-(4-pyridylmethyl)ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-(pyridin-4-ylmethyl)azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-methoxy-benzyl]-(4-pyridylmethyl)ammonium Formula: C16H20N3O3+ MolecularWeight: 302.3483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O3/c1-21-15-8-13(2-3-14(15)22-11-16(17)20)10-19-9-12-4-6-18-7-5-12/h2-8,19H,9-11H2,1H3,(H2,17,20)/p+1