[2-chloranyl-4-(2-hydroxyethyloxy)-5-methoxy-phenyl]methyl-(phenylmethyl)azanium

Systemtic Name: [2-chloranyl-4-(2-hydroxyethyloxy)-5-methoxy-phenyl]methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[2-chloro-4-(2-hydroxyethoxy)-5-methoxy-phenyl]methyl]ammonium CAS Name: [2-chloro-4-(2-hydroxyethoxy)-5-methoxyphenyl]methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[2-chloro-4-(2-hydroxyethoxy)-5-methoxyphenyl]methyl]azanium Traditional Name: benzyl-[2-chloro-4-(2-hydroxyethoxy)-5-methoxy-benzyl]ammonium Formula: C17H21ClNO3+ MolecularWeight: 322.80654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[NH2+]CC2=CC=CC=C2)Cl)OCCO

Isomeric SMILES

COC1=C(C=C(C(=C1)C[NH2+]CC2=CC=CC=C2)Cl)OCCO

InChI

InChI=1S/C17H20ClNO3/c1-21-16-9-14(15(18)10-17(16)22-8-7-20)12-19-11-13-5-3-2-4-6-13/h2-6,9-10,19-20H,7-8,11-12H2,1H3/p+1