3-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylazaniumyl]propyl-dimethyl-azanium

Systemtic Name: 3-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[3-ethoxy-4-(2-thienylmethoxy)phenyl]methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylammonio]propyl-dimethylammonium IUPAC Name: 3-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[[3-ethoxy-4-(2-thenyloxy)benzyl]ammonio]propyl-dimethyl-ammonium Formula: C19H30N2O2S+2 MolecularWeight: 350.5187

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CCC[NH+](C)C)OCC2=CC=CS2

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]CCC[NH+](C)C)OCC2=CC=CS2

InChI

InChI=1S/C19H28N2O2S/c1-4-22-19-13-16(14-20-10-6-11-21(2)3)8-9-18(19)23-15-17-7-5-12-24-17/h5,7-9,12-13,20H,4,6,10-11,14-15H2,1-3H3/p+2