(3R,4R)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-4-(4-phenethylpiperazin-1-yl)piperidin-3-ol

Systemtic Name: (3R,4R)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-4-(4-phenethylpiperazin-1-yl)piperidin-3-ol Openeye Name: (3R,4R)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-4-(4-phenethylpiperazin-1-yl)piperidin-3-ol CAS Name: (3R,4R)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-4-(4-phenethyl-1-piperazinyl)-3-piperidinol IUPAC Name: (3R,4R)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-4-(4-phenethylpiperazin-1-yl)piperidin-3-ol Traditional Name: (3R,4R)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-4-(4-phenethylpiperazino)piperidin-3-ol Formula: C23H36N5O+ MolecularWeight: 398.56484

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(NC=C1)CN2CCC(C(C2)O)N3CCN(CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC[N+]1=C(NC=C1)CN2CC[C@H]([C@@H](C2)O)N3CCN(CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H35N5O/c1-2-27-13-10-24-23(27)19-26-12-9-21(22(29)18-26)28-16-14-25(15-17-28)11-8-20-6-4-3-5-7-20/h3-7,10,13,21-22,29H,2,8-9,11-12,14-19H2,1H3/p+1/t21-,22-/m1/s1