1-[4-[(2R)-1-(3-methoxy-4-oxidanyl-phenyl)propan-2-yl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 1-[4-[(2R)-1-(3-methoxy-4-oxidanyl-phenyl)propan-2-yl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[(1R)-2-(4-hydroxy-3-methoxy-phenyl)-1-methyl-ethyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[(2R)-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-[(2R)-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-[(1R)-2-(4-hydroxy-3-methoxy-phenyl)-1-methyl-ethyl]piperazin-4-ium-1-yl]ethanone Formula: C16H25N2O3+ MolecularWeight: 293.3813

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)O)OC)[NH+]2CCN(CC2)C(=O)C

Isomeric SMILES

C[C@H](CC1=CC(=C(C=C1)O)OC)[NH+]2CCN(CC2)C(=O)C

InChI

InChI=1S/C16H24N2O3/c1-12(17-6-8-18(9-7-17)13(2)19)10-14-4-5-15(20)16(11-14)21-3/h4-5,11-12,20H,6-10H2,1-3H3/p+1/t12-/m1/s1