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

Systemtic Name: (5-methyl-1H-imidazol-2-yl)-[(3R,4R)-3-oxidanyl-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-yl]methanone Openeye Name: [(3R,4R)-3-hydroxy-4-(4-phenethylpiperazin-4-ium-1-yl)-1-piperidyl]-(5-methyl-1H-imidazol-2-yl)methanone CAS Name: [(3R,4R)-3-hydroxy-4-(4-phenethyl-1-piperazin-4-iumyl)-1-piperidinyl]-(5-methyl-1H-imidazol-2-yl)methanone IUPAC Name: [(3R,4R)-3-hydroxy-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone Traditional Name: [(3R,4R)-3-hydroxy-4-(4-phenethylpiperazin-4-ium-1-yl)piperidino]-(5-methyl-1H-imidazol-2-yl)methanone Formula: C22H32N5O2+ MolecularWeight: 398.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N1)C(=O)N2CCC(C(C2)O)N3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CN=C(N1)C(=O)N2CC[C@H]([C@@H](C2)O)N3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C22H31N5O2/c1-17-15-23-21(24-17)22(29)27-10-8-19(20(28)16-27)26-13-11-25(12-14-26)9-7-18-5-3-2-4-6-18/h2-6,15,19-20,28H,7-14,16H2,1H3,(H,23,24)/p+1/t19-,20-/m1/s1