3-(4-chlorophenyl)-1-[(3R,4R)-4-(4-methylpiperazin-4-ium-1-yl)-3-oxidanyl-piperidin-1-yl]propan-1-one

Systemtic Name: 3-(4-chlorophenyl)-1-[(3R,4R)-4-(4-methylpiperazin-4-ium-1-yl)-3-oxidanyl-piperidin-1-yl]propan-1-one Openeye Name: 3-(4-chlorophenyl)-1-[(3R,4R)-3-hydroxy-4-(4-methylpiperazin-4-ium-1-yl)-1-piperidyl]propan-1-one CAS Name: 3-(4-chlorophenyl)-1-[(3R,4R)-3-hydroxy-4-(4-methyl-1-piperazin-4-iumyl)-1-piperidinyl]-1-propanone IUPAC Name: 3-(4-chlorophenyl)-1-[(3R,4R)-3-hydroxy-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-yl]propan-1-one Traditional Name: 3-(4-chlorophenyl)-1-[(3R,4R)-3-hydroxy-4-(4-methylpiperazin-4-ium-1-yl)piperidino]propan-1-one Formula: C19H29ClN3O2+ MolecularWeight: 366.90546

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2CCN(CC2O)C(=O)CCC3=CC=C(C=C3)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)[C@@H]2CCN(C[C@H]2O)C(=O)CCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H28ClN3O2/c1-21-10-12-22(13-11-21)17-8-9-23(14-18(17)24)19(25)7-4-15-2-5-16(20)6-3-15/h2-3,5-6,17-18,24H,4,7-14H2,1H3/p+1/t17-,18-/m1/s1