2-hydroxyethyl-[2-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylazaniumyl]ethyl]azanium

Systemtic Name: 2-hydroxyethyl-[2-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylazaniumyl]ethyl]azanium Openeye Name: 2-hydroxyethyl-[2-[[3-methoxy-4-(2-thienylmethoxy)phenyl]methylammonio]ethyl]ammonium CAS Name: 2-hydroxyethyl-[2-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylammonio]ethyl]ammonium IUPAC Name: 2-hydroxyethyl-[2-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylazaniumyl]ethyl]azanium Traditional Name: 2-hydroxyethyl-[2-[[3-methoxy-4-(2-thenyloxy)benzyl]ammonio]ethyl]ammonium Formula: C17H26N2O3S+2 MolecularWeight: 338.46494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CC[NH2+]CCO)OCC2=CC=CS2

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CC[NH2+]CCO)OCC2=CC=CS2

InChI

InChI=1S/C17H24N2O3S/c1-21-17-11-14(12-19-7-6-18-8-9-20)4-5-16(17)22-13-15-3-2-10-23-15/h2-5,10-11,18-20H,6-9,12-13H2,1H3/p+2