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

Systemtic Name: (2S)-1-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-3-pyrrolidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-3-pyrrolidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-[2-[(3,4-dimethoxyphenyl)methyl]-1-benzimidazolyl]-3-(1-pyrrolidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-3-pyrrolidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-pyrrolidin-1-ium-1-yl-3-(2-veratrylbenzimidazol-1-yl)propan-2-ol Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3/c1-28-21-10-9-17(13-22(21)29-2)14-23-24-19-7-3-4-8-20(19)26(23)16-18(27)15-25-11-5-6-12-25/h3-4,7-10,13,18,27H,5-6,11-12,14-16H2,1-2H3/p+1/t18-/m1/s1