[3-chloranyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(phenylmethyl)azanium

Systemtic Name: [3-chloranyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[3-chloro-5-methoxy-4-(2-thienylmethoxy)phenyl]methyl]ammonium CAS Name: [3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium Traditional Name: benzyl-[3-chloro-5-methoxy-4-(2-thenyloxy)benzyl]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=CC=C2)Cl)OCC3=CC=CS3

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CC=C2)Cl)OCC3=CC=CS3

InChI

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