1H-benzimidazol-2-ylmethyl-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium

Systemtic Name: 1H-benzimidazol-2-ylmethyl-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium Openeye Name: 1H-benzimidazol-2-ylmethyl-[[3-ethoxy-4-(2-thienylmethoxy)phenyl]methyl]ammonium CAS Name: 1H-benzimidazol-2-ylmethyl-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ammonium IUPAC Name: 1H-benzimidazol-2-ylmethyl-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium Traditional Name: 1H-benzimidazol-2-ylmethyl-[3-ethoxy-4-(2-thenyloxy)benzyl]ammonium Formula: C22H24N3O2S+ MolecularWeight: 394.50986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CC2=NC3=CC=CC=C3N2)OCC4=CC=CS4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]CC2=NC3=CC=CC=C3N2)OCC4=CC=CS4

InChI

InChI=1S/C22H23N3O2S/c1-2-26-21-12-16(9-10-20(21)27-15-17-6-5-11-28-17)13-23-14-22-24-18-7-3-4-8-19(18)25-22/h3-12,23H,2,13-15H2,1H3,(H,24,25)/p+1