(2S)-1-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]-3-pyrrolidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2S)-1-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]-3-pyrrolidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]-3-pyrrolidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-[2-[(4-methoxyphenyl)methyl]-1-benzimidazolyl]-3-(1-pyrrolidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]-3-pyrrolidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-(2-p-anisylbenzimidazol-1-yl)-3-pyrrolidin-1-ium-1-yl-propan-2-ol Formula: C22H28N3O2+ MolecularWeight: 366.47662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=NC3=CC=CC=C3N2CC(C[NH+]4CCCC4)O

Isomeric SMILES

COC1=CC=C(C=C1)CC2=NC3=CC=CC=C3N2C[C@@H](C[NH+]4CCCC4)O

InChI

InChI=1S/C22H27N3O2/c1-27-19-10-8-17(9-11-19)14-22-23-20-6-2-3-7-21(20)25(22)16-18(26)15-24-12-4-5-13-24/h2-3,6-11,18,26H,4-5,12-16H2,1H3/p+1/t18-/m1/s1