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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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