(3-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: (3-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-(thiophen-2-ylmethyl)azanium Openeye Name: (4-benzyloxy-3-chloro-5-methoxy-phenyl)methyl-(2-thienylmethyl)ammonium CAS Name: (3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: (3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl-(thiophen-2-ylmethyl)azanium Traditional Name: (4-benzoxy-3-chloro-5-methoxy-benzyl)-(2-thenyl)ammonium Formula: C20H21ClNO2S+ MolecularWeight: 374.90424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CS2)Cl)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CS2)Cl)OCC3=CC=CC=C3

InChI

InChI=1S/C20H20ClNO2S/c1-23-19-11-16(12-22-13-17-8-5-9-25-17)10-18(21)20(19)24-14-15-6-3-2-4-7-15/h2-11,22H,12-14H2,1H3/p+1