2-[(3R)-1-[(2,5-dimethylphenyl)methyl]piperidin-1-ium-3-yl]-1H-benzimidazole

Systemtic Name: 2-[(3R)-1-[(2,5-dimethylphenyl)methyl]piperidin-1-ium-3-yl]-1H-benzimidazole Openeye Name: 2-[(3R)-1-[(2,5-dimethylphenyl)methyl]piperidin-1-ium-3-yl]-1H-benzimidazole CAS Name: 2-[(3R)-1-[(2,5-dimethylphenyl)methyl]-3-piperidin-1-iumyl]-1H-benzimidazole IUPAC Name: 2-[(3R)-1-[(2,5-dimethylphenyl)methyl]piperidin-1-ium-3-yl]-1H-benzimidazole Traditional Name: 2-[(3R)-1-(2,5-dimethylbenzyl)piperidin-1-ium-3-yl]-1H-benzimidazole Formula: C21H26N3+ MolecularWeight: 320.45124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3/c1-15-9-10-16(2)18(12-15)14-24-11-5-6-17(13-24)21-22-19-7-3-4-8-20(19)23-21/h3-4,7-10,12,17H,5-6,11,13-14H2,1-2H3,(H,22,23)/p+1/t17-/m1/s1