1H-benzimidazol-2-ylmethyl-[(2,3-dimethoxyphenyl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium

Systemtic Name: 1H-benzimidazol-2-ylmethyl-[(2,3-dimethoxyphenyl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium Openeye Name: 1H-benzimidazol-2-ylmethyl-[(2,3-dimethoxyphenyl)methyl]-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium CAS Name: 1H-benzimidazol-2-ylmethyl-[(2,3-dimethoxyphenyl)methyl]-[[(2R)-2-oxolanyl]methyl]ammonium IUPAC Name: 1H-benzimidazol-2-ylmethyl-[(2,3-dimethoxyphenyl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium Traditional Name: 1H-benzimidazol-2-ylmethyl-o-veratryl-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[NH+](CC2CCCO2)CC3=NC4=CC=CC=C4N3

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH+](C[C@H]2CCCO2)CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H27N3O3/c1-26-20-11-5-7-16(22(20)27-2)13-25(14-17-8-6-12-28-17)15-21-23-18-9-3-4-10-19(18)24-21/h3-5,7,9-11,17H,6,8,12-15H2,1-2H3,(H,23,24)/p+1/t17-/m1/s1