(3R,4R)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-(4-phenethyl-1-piperazin-4-iumyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Formula: C24H39N5O+2 MolecularWeight: 413.59936

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1)C)C[NH+]2CCC(C(C2)O)N3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

CCC1=NC(=C(N1)C)C[NH+]2CC[C@H]([C@@H](C2)O)N3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C24H37N5O/c1-3-24-25-19(2)21(26-24)17-28-12-10-22(23(30)18-28)29-15-13-27(14-16-29)11-9-20-7-5-4-6-8-20/h4-8,22-23,30H,3,9-18H2,1-2H3,(H,25,26)/p+2/t22-,23-/m1/s1