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

Systemtic Name: 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(2S)-2-phenylbutyl]ethanamide Openeye Name: 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(2S)-2-phenylbutyl]acetamide CAS Name: 2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-N-[(2S)-2-phenylbutyl]acetamide IUPAC Name: 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(2S)-2-phenylbutyl]acetamide Traditional Name: 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(2S)-2-phenylbutyl]acetamide Formula: C23H32N3O2+ MolecularWeight: 382.51908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O2/c1-3-19(20-7-5-4-6-8-20)17-24-23(27)18-25-13-15-26(16-14-25)21-9-11-22(28-2)12-10-21/h4-12,19H,3,13-18H2,1-2H3,(H,24,27)/p+1/t19-/m1/s1