[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-phenyl]methyl-(1,3-benzodioxol-5-ylmethyl)azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-phenyl]methyl-(1,3-benzodioxol-5-ylmethyl)azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-chloro-5-methoxy-phenyl]methyl-(1,3-benzodioxol-5-ylmethyl)ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-(1,3-benzodioxol-5-ylmethyl)ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-(1,3-benzodioxol-5-ylmethyl)azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-chloro-5-methoxy-benzyl]-piperonyl-ammonium Formula: C18H20ClN2O5+ MolecularWeight: 379.8148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3)Cl)OCC(=O)N

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3)Cl)OCC(=O)N

InChI

InChI=1S/C18H19ClN2O5/c1-23-16-6-12(4-13(19)18(16)24-9-17(20)22)8-21-7-11-2-3-14-15(5-11)26-10-25-14/h2-6,21H,7-10H2,1H3,(H2,20,22)/p+1