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

Systemtic Name: [3-chloranyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(cyanomethyl)azanium Openeye Name: [3-chloro-5-methoxy-4-(2-thienylmethoxy)phenyl]methyl-(cyanomethyl)ammonium CAS Name: [3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(cyanomethyl)ammonium IUPAC Name: [3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(cyanomethyl)azanium Traditional Name: [3-chloro-5-methoxy-4-(2-thenyloxy)benzyl]-(cyanomethyl)ammonium Formula: C15H16ClN2O2S+ MolecularWeight: 323.81774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC#N)Cl)OCC2=CC=CS2

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CC#N)Cl)OCC2=CC=CS2

InChI

InChI=1S/C15H15ClN2O2S/c1-19-14-8-11(9-18-5-4-17)7-13(16)15(14)20-10-12-3-2-6-21-12/h2-3,6-8,18H,5,9-10H2,1H3/p+1