3-(benzimidazol-1-yl)propyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium

Systemtic Name: 3-(benzimidazol-1-yl)propyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium Openeye Name: 3-(benzimidazol-1-yl)propyl-[[3-methoxy-4-(2-thienylmethoxy)phenyl]methyl]ammonium CAS Name: 3-(1-benzimidazolyl)propyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ammonium IUPAC Name: 3-(benzimidazol-1-yl)propyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium Traditional Name: 3-(benzimidazol-1-yl)propyl-[3-methoxy-4-(2-thenyloxy)benzyl]ammonium Formula: C23H26N3O2S+ MolecularWeight: 408.53644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCCN2C=NC3=CC=CC=C32)OCC4=CC=CS4

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCCN2C=NC3=CC=CC=C32)OCC4=CC=CS4

InChI

InChI=1S/C23H25N3O2S/c1-27-23-14-18(9-10-22(23)28-16-19-6-4-13-29-19)15-24-11-5-12-26-17-25-20-7-2-3-8-21(20)26/h2-4,6-10,13-14,17,24H,5,11-12,15-16H2,1H3/p+1