(3R,4R)-1-[(5-chloranyl-2-oxidanyl-phenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-[(5-chloranyl-2-oxidanyl-phenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(5-chloro-2-hydroxy-phenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[(5-chloro-2-hydroxyphenyl)methyl]-4-(4-methyl-1-piperazin-4-iumyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(5-chloro-2-hydroxyphenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-(5-chloro-2-hydroxy-benzyl)-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Formula: C17H28ClN3O2+2 MolecularWeight: 341.87612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2CC[NH+](CC2O)CC3=C(C=CC(=C3)Cl)O

Isomeric SMILES

C[NH+]1CCN(CC1)[C@@H]2CC[NH+](C[C@H]2O)CC3=C(C=CC(=C3)Cl)O

InChI

InChI=1S/C17H26ClN3O2/c1-19-6-8-21(9-7-19)15-4-5-20(12-17(15)23)11-13-10-14(18)2-3-16(13)22/h2-3,10,15,17,22-23H,4-9,11-12H2,1H3/p+2/t15-,17-/m1/s1