2-[[3-chloranyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylazaniumyl]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3-chloranyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylazaniumyl]ethyl-dimethyl-azanium Openeye Name: 2-[[3-chloro-5-methoxy-4-(2-thienylmethoxy)phenyl]methylammonio]ethyl-dimethyl-ammonium CAS Name: 2-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylammonio]ethyl-dimethylammonium IUPAC Name: 2-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylazaniumyl]ethyl-dimethylazanium Traditional Name: 2-[[3-chloro-5-methoxy-4-(2-thenyloxy)benzyl]ammonio]ethyl-dimethyl-ammonium Formula: C17H25ClN2O2S+2 MolecularWeight: 356.9106

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC[NH2+]CC1=CC(=C(C(=C1)Cl)OCC2=CC=CS2)OC

Isomeric SMILES

C[NH+](C)CC[NH2+]CC1=CC(=C(C(=C1)Cl)OCC2=CC=CS2)OC

InChI

InChI=1S/C17H23ClN2O2S/c1-20(2)7-6-19-11-13-9-15(18)17(16(10-13)21-3)22-12-14-5-4-8-23-14/h4-5,8-10,19H,6-7,11-12H2,1-3H3/p+2