(4-methylphenyl)-[(3R,4R)-3-oxidanyl-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-yl]methanone

Systemtic Name: (4-methylphenyl)-[(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]-(p-tolyl)methanone CAS Name: [(3R,4R)-3-hydroxy-4-(4-phenethyl-1-piperazin-4-iumyl)-1-piperidinyl]-(4-methylphenyl)methanone IUPAC Name: [(3R,4R)-3-hydroxy-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-yl]-(4-methylphenyl)methanone Traditional Name: [(3R,4R)-3-hydroxy-4-(4-phenethylpiperazin-4-ium-1-yl)piperidino]-(p-tolyl)methanone Formula: C25H34N3O2+ MolecularWeight: 408.55636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCC(C(C2)O)N3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC[C@H]([C@@H](C2)O)N3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H33N3O2/c1-20-7-9-22(10-8-20)25(30)28-14-12-23(24(29)19-28)27-17-15-26(16-18-27)13-11-21-5-3-2-4-6-21/h2-10,23-24,29H,11-19H2,1H3/p+1/t23-,24-/m1/s1