(3R,4R)-1-(1H-benzimidazol-2-ylmethyl)-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-(1H-benzimidazol-2-ylmethyl)-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-(1H-benzimidazol-2-ylmethyl)-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-(1H-benzimidazol-2-ylmethyl)-4-(4-methyl-1-piperazin-4-iumyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-(1H-benzimidazol-2-ylmethyl)-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-(1H-benzimidazol-2-ylmethyl)-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Formula: C18H29N5O+2 MolecularWeight: 331.45576

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2CC[NH+](CC2O)CC3=NC4=CC=CC=C4N3

Isomeric SMILES

C[NH+]1CCN(CC1)[C@@H]2CC[NH+](C[C@H]2O)CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C18H27N5O/c1-21-8-10-23(11-9-21)16-6-7-22(12-17(16)24)13-18-19-14-4-2-3-5-15(14)20-18/h2-5,16-17,24H,6-13H2,1H3,(H,19,20)/p+2/t16-,17-/m1/s1