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

Systemtic Name: (2S)-1-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-3-pyrrolidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-3-pyrrolidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-[2-[(4-chlorophenyl)methyl]-1-benzimidazolyl]-3-(1-pyrrolidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-3-pyrrolidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-[2-(4-chlorobenzyl)benzimidazol-1-yl]-3-pyrrolidin-1-ium-1-yl-propan-2-ol Formula: C21H25ClN3O+ MolecularWeight: 370.8957

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(CN2C3=CC=CC=C3N=C2CC4=CC=C(C=C4)Cl)O

Isomeric SMILES

C1CC[NH+](C1)C[C@H](CN2C3=CC=CC=C3N=C2CC4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C21H24ClN3O/c22-17-9-7-16(8-10-17)13-21-23-19-5-1-2-6-20(19)25(21)15-18(26)14-24-11-3-4-12-24/h1-2,5-10,18,26H,3-4,11-15H2/p+1/t18-/m1/s1