2-[(3S)-1-(2-phenoxyethyl)piperidin-1-ium-3-yl]-1H-benzimidazole

Systemtic Name: 2-[(3S)-1-(2-phenoxyethyl)piperidin-1-ium-3-yl]-1H-benzimidazole Openeye Name: 2-[(3S)-1-(2-phenoxyethyl)piperidin-1-ium-3-yl]-1H-benzimidazole CAS Name: 2-[(3S)-1-(2-phenoxyethyl)-3-piperidin-1-iumyl]-1H-benzimidazole IUPAC Name: 2-[(3S)-1-(2-phenoxyethyl)piperidin-1-ium-3-yl]-1H-benzimidazole Traditional Name: 2-[(3S)-1-(2-phenoxyethyl)piperidin-1-ium-3-yl]-1H-benzimidazole Formula: C20H24N3O+ MolecularWeight: 322.42406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCOC2=CC=CC=C2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCOC2=CC=CC=C2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H23N3O/c1-2-8-17(9-3-1)24-14-13-23-12-6-7-16(15-23)20-21-18-10-4-5-11-19(18)22-20/h1-5,8-11,16H,6-7,12-15H2,(H,21,22)/p+1/t16-/m0/s1