(3R,4R)-1-methyl-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-methyl-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-methyl-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-methyl-4-(4-phenethyl-1-piperazin-4-iumyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-methyl-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-methyl-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Formula: C18H31N3O+2 MolecularWeight: 305.45824

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(C(C1)O)N2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CC[C@H]([C@@H](C1)O)N2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C18H29N3O/c1-19-9-8-17(18(22)15-19)21-13-11-20(12-14-21)10-7-16-5-3-2-4-6-16/h2-6,17-18,22H,7-15H2,1H3/p+2/t17-,18-/m1/s1