[3-chloranyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl-(phenylmethyl)azanium

Systemtic Name: [3-chloranyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[3-chloro-5-methoxy-4-(3-pyridylmethoxy)phenyl]methyl]ammonium CAS Name: [3-chloro-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]azanium Traditional Name: benzyl-[3-chloro-5-methoxy-4-(3-pyridylmethoxy)benzyl]ammonium Formula: C21H22ClN2O2+ MolecularWeight: 369.86458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CC=C2)Cl)OCC3=CN=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CC=C2)Cl)OCC3=CN=CC=C3

InChI

InChI=1S/C21H21ClN2O2/c1-25-20-11-18(14-24-12-16-6-3-2-4-7-16)10-19(22)21(20)26-15-17-8-5-9-23-13-17/h2-11,13,24H,12,14-15H2,1H3/p+1