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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O2S/c1-3-21-18-12-15(13-20-10-5-9-19-2)7-8-17(18)22-14-16-6-4-11-23-16/h4,6-8,11-12,19-20H,3,5,9-10,13-14H2,1-2H3/p+2