N-[[3-chloranyl-5-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-pyridin-3-yl-methanamine hydrochloride

Systemtic Name: N-[[3-chloranyl-5-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-pyridin-3-yl-methanamine hydrochloride Openeye Name: N-[[3-chloro-5-ethoxy-4-(2-thienylmethoxy)phenyl]methyl]-1-(3-pyridyl)methanamine hydrochloride CAS Name: N-[[3-chloro-5-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-(3-pyridinyl)methanamine hydrochloride IUPAC Name: N-[[3-chloro-5-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-pyridin-3-ylmethanamine hydrochloride Traditional Name: [3-chloro-5-ethoxy-4-(2-thenyloxy)benzyl]-(3-pyridylmethyl)amine hydrochloride Formula: C20H22Cl2N2O2S MolecularWeight: 425.37188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNCC2=CN=CC=C2)Cl)OCC3=CC=CS3.Cl

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNCC2=CN=CC=C2)Cl)OCC3=CC=CS3.Cl

InChI

InChI=1S/C20H21ClN2O2S.ClH/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;1H