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

Systemtic Name: 2-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylazaniumyl]ethyl-dimethyl-azanium Openeye Name: 2-[[3-ethoxy-4-(2-thienylmethoxy)phenyl]methylammonio]ethyl-dimethyl-ammonium CAS Name: 2-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylammonio]ethyl-dimethylammonium IUPAC Name: 2-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylazaniumyl]ethyl-dimethylazanium Traditional Name: 2-[[3-ethoxy-4-(2-thenyloxy)benzyl]ammonio]ethyl-dimethyl-ammonium Formula: C18H28N2O2S+2 MolecularWeight: 336.49212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O2S/c1-4-21-18-12-15(13-19-9-10-20(2)3)7-8-17(18)22-14-16-6-5-11-23-16/h5-8,11-12,19H,4,9-10,13-14H2,1-3H3/p+2