2-[2-azanyl-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-3-ium-1-yl]ethanol

Systemtic Name: 2-[2-azanyl-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-3-ium-1-yl]ethanol Openeye Name: 2-[2-amino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-3-ium-1-yl]ethanol CAS Name: 2-[2-amino-3-[2-(1-piperidin-1-iumyl)ethyl]-1-benzimidazol-3-iumyl]ethanol IUPAC Name: 2-[2-amino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-3-ium-1-yl]ethanol Traditional Name: 2-[2-amino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-3-ium-1-yl]ethanol Formula: C16H26N4O+2 MolecularWeight: 290.40384

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC[N+]2=C(N(C3=CC=CC=C32)CCO)N

Isomeric SMILES

C1CC[NH+](CC1)CC[N+]2=C(N(C3=CC=CC=C32)CCO)N

InChI

InChI=1S/C16H24N4O/c17-16-19(11-10-18-8-4-1-5-9-18)14-6-2-3-7-15(14)20(16)12-13-21/h2-3,6-7,17,21H,1,4-5,8-13H2/p+2