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

Systemtic Name: 6-methoxy-2-[(3S)-piperidin-1-ium-3-yl]-1H-benzimidazole Openeye Name: 6-methoxy-2-[(3S)-piperidin-1-ium-3-yl]-1H-benzimidazole CAS Name: 6-methoxy-2-[(3S)-3-piperidin-1-iumyl]-1H-benzimidazole IUPAC Name: 6-methoxy-2-[(3S)-piperidin-1-ium-3-yl]-1H-benzimidazole Traditional Name: 6-methoxy-2-[(3S)-piperidin-1-ium-3-yl]-1H-benzimidazole Formula: C13H18N3O+ MolecularWeight: 232.30152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)C3CCC[NH2+]C3

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)[C@H]3CCC[NH2+]C3

InChI

InChI=1S/C13H17N3O/c1-17-10-4-5-11-12(7-10)16-13(15-11)9-3-2-6-14-8-9/h4-5,7,9,14H,2-3,6,8H2,1H3,(H,15,16)/p+1/t9-/m0/s1