4,5-dimethyl-2-[(3S)-piperidin-1-ium-3-yl]-1H-benzimidazole

Systemtic Name: 4,5-dimethyl-2-[(3S)-piperidin-1-ium-3-yl]-1H-benzimidazole Openeye Name: 4,5-dimethyl-2-[(3S)-piperidin-1-ium-3-yl]-1H-benzimidazole CAS Name: 4,5-dimethyl-2-[(3S)-3-piperidin-1-iumyl]-1H-benzimidazole IUPAC Name: 4,5-dimethyl-2-[(3S)-piperidin-1-ium-3-yl]-1H-benzimidazole Traditional Name: 4,5-dimethyl-2-[(3S)-piperidin-1-ium-3-yl]-1H-benzimidazole Formula: C14H20N3+ MolecularWeight: 230.3287

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)NC(=N2)C3CCC[NH2+]C3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)NC(=N2)[C@H]3CCC[NH2+]C3)C

InChI

InChI=1S/C14H19N3/c1-9-5-6-12-13(10(9)2)17-14(16-12)11-4-3-7-15-8-11/h5-6,11,15H,3-4,7-8H2,1-2H3,(H,16,17)/p+1/t11-/m0/s1