(3-chloranyl-4,5-diethoxy-phenyl)methyl-(phenylmethyl)azanium

Systemtic Name: (3-chloranyl-4,5-diethoxy-phenyl)methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(3-chloro-4,5-diethoxy-phenyl)methyl]ammonium CAS Name: (3-chloro-4,5-diethoxyphenyl)methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(3-chloro-4,5-diethoxyphenyl)methyl]azanium Traditional Name: benzyl-(3-chloro-4,5-diethoxy-benzyl)ammonium Formula: C18H23ClNO2+ MolecularWeight: 320.83372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CC=C2)Cl)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CC=C2)Cl)OCC

InChI

InChI=1S/C18H22ClNO2/c1-3-21-17-11-15(10-16(19)18(17)22-4-2)13-20-12-14-8-6-5-7-9-14/h5-11,20H,3-4,12-13H2,1-2H3/p+1