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

Systemtic Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(2S)-3-methylbutan-2-yl]ethanamide Openeye Name: N-[(1S)-1,2-dimethylpropyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-N-[(2S)-3-methylbutan-2-yl]acetamide IUPAC Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(2S)-3-methylbutan-2-yl]acetamide Traditional Name: N-[(1S)-1,2-dimethylpropyl]-2-[4-(3-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(=CC=C2)OC

Isomeric SMILES

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

InChI

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