[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methyl-(3-imidazol-1-ylpropyl)azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methyl-(3-imidazol-1-ylpropyl)azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-methoxy-benzyl]-(3-imidazol-1-ylpropyl)ammonium Formula: C16H23N4O3+ MolecularWeight: 319.37882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCCN2C=CN=C2)OCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCCN2C=CN=C2)OCC(=O)N

InChI

InChI=1S/C16H22N4O3/c1-22-15-9-13(3-4-14(15)23-11-16(17)21)10-18-5-2-7-20-8-6-19-12-20/h3-4,6,8-9,12,18H,2,5,7,10-11H2,1H3,(H2,17,21)/p+1