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

Systemtic Name: (3R,4R)-1-[(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(3-chloro-4-hydroxy-5-methoxy-phenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]-4-(4-methyl-1-piperazin-4-iumyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-(3-chloro-4-hydroxy-5-methoxy-benzyl)-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Formula: C18H30ClN3O3+2 MolecularWeight: 371.9021

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28ClN3O3/c1-20-5-7-22(8-6-20)15-3-4-21(12-16(15)23)11-13-9-14(19)18(24)17(10-13)25-2/h9-10,15-16,23-24H,3-8,11-12H2,1-2H3/p+2/t15-,16-/m1/s1