[3-chloranyl-5-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(pyridin-3-ylmethyl)azanium

Systemtic Name: [3-chloranyl-5-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(pyridin-3-ylmethyl)azanium Openeye Name: [3-chloro-5-ethoxy-4-(2-thienylmethoxy)phenyl]methyl-(3-pyridylmethyl)ammonium CAS Name: [3-chloro-5-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(3-pyridinylmethyl)ammonium IUPAC Name: [3-chloro-5-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(pyridin-3-ylmethyl)azanium Traditional Name: [3-chloro-5-ethoxy-4-(2-thenyloxy)benzyl]-(3-pyridylmethyl)ammonium Formula: C20H22ClN2O2S+ MolecularWeight: 389.91888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CN=CC=C2)Cl)OCC3=CC=CS3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CN=CC=C2)Cl)OCC3=CC=CS3

InChI

InChI=1S/C20H21ClN2O2S/c1-2-24-19-10-16(13-23-12-15-5-3-7-22-11-15)9-18(21)20(19)25-14-17-6-4-8-26-17/h3-11,23H,2,12-14H2,1H3/p+1