[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[2-(2-hydroxyethylazaniumyl)ethyl]azanium

Systemtic Name: [3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[2-(2-hydroxyethylazaniumyl)ethyl]azanium Openeye Name: [3-ethoxy-4-(2-thienylmethoxy)phenyl]methyl-[2-(2-hydroxyethylammonio)ethyl]ammonium CAS Name: [3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[2-(2-hydroxyethylammonio)ethyl]ammonium IUPAC Name: [3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[2-(2-hydroxyethylazaniumyl)ethyl]azanium Traditional Name: [3-ethoxy-4-(2-thenyloxy)benzyl]-[2-(2-hydroxyethylammonio)ethyl]ammonium Formula: C18H28N2O3S+2 MolecularWeight: 352.49152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O3S/c1-2-22-18-12-15(13-20-8-7-19-9-10-21)5-6-17(18)23-14-16-4-3-11-24-16/h3-6,11-12,19-21H,2,7-10,13-14H2,1H3/p+2