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

Systemtic Name: 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(2S)-2-phenylpropyl]ethanamide Openeye Name: 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(2S)-2-phenylpropyl]acetamide CAS Name: 2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-N-[(2S)-2-phenylpropyl]acetamide IUPAC Name: 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(2S)-2-phenylpropyl]acetamide Traditional Name: 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(2S)-2-phenylpropyl]acetamide Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C[NH+]1CCN(CC1)C2=CC=C(C=C2)OC)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CNC(=O)C[NH+]1CCN(CC1)C2=CC=C(C=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O2/c1-18(19-6-4-3-5-7-19)16-23-22(26)17-24-12-14-25(15-13-24)20-8-10-21(27-2)11-9-20/h3-11,18H,12-17H2,1-2H3,(H,23,26)/p+1/t18-/m1/s1