2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(2S)-3-methylbutan-2-yl]ethanamide

Systemtic Name: 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(2S)-3-methylbutan-2-yl]ethanamide Openeye Name: N-[(1S)-1,2-dimethylpropyl]-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-N-[(2S)-3-methylbutan-2-yl]acetamide IUPAC Name: 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(2S)-3-methylbutan-2-yl]acetamide Traditional Name: N-[(1S)-1,2-dimethylpropyl]-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C18H30N3O2+ MolecularWeight: 320.4497

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)C[NH+]1CCN(CC1)C2=CC=C(C=C2)OC

Isomeric SMILES

C[C@@H](C(C)C)NC(=O)C[NH+]1CCN(CC1)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H29N3O2/c1-14(2)15(3)19-18(22)13-20-9-11-21(12-10-20)16-5-7-17(23-4)8-6-16/h5-8,14-15H,9-13H2,1-4H3,(H,19,22)/p+1/t15-/m0/s1