2-[(3R)-1-[(4-methylphenyl)methyl]piperidin-1-ium-3-yl]-1H-benzimidazole

Systemtic Name: 2-[(3R)-1-[(4-methylphenyl)methyl]piperidin-1-ium-3-yl]-1H-benzimidazole Openeye Name: 2-[(3R)-1-(p-tolylmethyl)piperidin-1-ium-3-yl]-1H-benzimidazole CAS Name: 2-[(3R)-1-[(4-methylphenyl)methyl]-3-piperidin-1-iumyl]-1H-benzimidazole IUPAC Name: 2-[(3R)-1-[(4-methylphenyl)methyl]piperidin-1-ium-3-yl]-1H-benzimidazole Traditional Name: 2-[(3R)-1-(4-methylbenzyl)piperidin-1-ium-3-yl]-1H-benzimidazole Formula: C20H24N3+ MolecularWeight: 306.42466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCCC(C2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCC[C@H](C2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H23N3/c1-15-8-10-16(11-9-15)13-23-12-4-5-17(14-23)20-21-18-6-2-3-7-19(18)22-20/h2-3,6-11,17H,4-5,12-14H2,1H3,(H,21,22)/p+1/t17-/m1/s1