[4-[(6-chloranylpyridin-3-yl)methoxy]-3-methoxy-phenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium

Systemtic Name: [4-[(6-chloranylpyridin-3-yl)methoxy]-3-methoxy-phenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: [4-[(6-chloro-3-pyridyl)methoxy]-3-methoxy-phenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: [4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: [4-[(6-chloropyridin-3-yl)methoxy]-3-methoxyphenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: [4-[(6-chloro-3-pyridyl)methoxy]-3-methoxy-benzyl]-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C21H30ClN3O3+2 MolecularWeight: 407.9342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCC[NH+]2CCOCC2)OCC3=CN=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCC[NH+]2CCOCC2)OCC3=CN=C(C=C3)Cl

InChI

InChI=1S/C21H28ClN3O3/c1-26-20-13-17(14-23-7-2-8-25-9-11-27-12-10-25)3-5-19(20)28-16-18-4-6-21(22)24-15-18/h3-6,13,15,23H,2,7-12,14,16H2,1H3/p+2