(3R,4R)-1-(1H-imidazol-2-ylmethyl)-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-(1H-imidazol-2-ylmethyl)-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-(1H-imidazol-2-ylmethyl)-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-(1H-imidazol-2-ylmethyl)-4-(4-phenethyl-1-piperazin-4-iumyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-(1H-imidazol-2-ylmethyl)-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-(1H-imidazol-2-ylmethyl)-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Formula: C21H33N5O+2 MolecularWeight: 371.51962

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(C1N2CC[NH+](CC2)CCC3=CC=CC=C3)O)CC4=NC=CN4

Isomeric SMILES

C1C[NH+](C[C@H]([C@@H]1N2CC[NH+](CC2)CCC3=CC=CC=C3)O)CC4=NC=CN4

InChI

InChI=1S/C21H31N5O/c27-20-16-25(17-21-22-8-9-23-21)11-7-19(20)26-14-12-24(13-15-26)10-6-18-4-2-1-3-5-18/h1-5,8-9,19-20,27H,6-7,10-17H2,(H,22,23)/p+2/t19-,20-/m1/s1