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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClN2O2S/c1-19-6-4-7-20-11-13-9-15(18)17(16(10-13)21-2)22-12-14-5-3-8-23-14/h3,5,8-10,19-20H,4,6-7,11-12H2,1-2H3/p+2