3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-1H-benzimidazol-3-ium-2-amine

Systemtic Name: 3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-1H-benzimidazol-3-ium-2-amine Openeye Name: 3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-1H-benzimidazol-3-ium-2-amine CAS Name: 3-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-1H-benzimidazol-3-ium-2-amine IUPAC Name: 3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-1H-benzimidazol-3-ium-2-amine Traditional Name: [3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-1H-benzimidazol-3-ium-2-yl]amine Formula: C16H26N4+2 MolecularWeight: 274.40444

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCC[N+]2=C(NC3=CC=CC=C32)N

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCC[N+]2=C(NC3=CC=CC=C32)N

InChI

InChI=1S/C16H24N4/c1-13-7-4-5-10-19(13)11-6-12-20-15-9-3-2-8-14(15)18-16(20)17/h2-3,8-9,13H,4-7,10-12H2,1H3,(H2,17,18)/p+2/t13-/m0/s1