(2S)-2-phenoxy-N-[3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propyl]propanamide

Systemtic Name: (2S)-2-phenoxy-N-[3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propyl]propanamide Openeye Name: (2S)-N-[3-(4-benzylpiperazin-1-ium-1-yl)propyl]-2-phenoxy-propanamide CAS Name: (2S)-2-phenoxy-N-[3-[4-(phenylmethyl)-1-piperazin-1-iumyl]propyl]propanamide IUPAC Name: (2S)-N-[3-(4-benzylpiperazin-1-ium-1-yl)propyl]-2-phenoxypropanamide Traditional Name: (2S)-N-[3-(4-benzylpiperazin-1-ium-1-yl)propyl]-2-phenoxy-propionamide Formula: C23H32N3O2+ MolecularWeight: 382.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC[NH+]1CCN(CC1)CC2=CC=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NCCC[NH+]1CCN(CC1)CC2=CC=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O2/c1-20(28-22-11-6-3-7-12-22)23(27)24-13-8-14-25-15-17-26(18-16-25)19-21-9-4-2-5-10-21/h2-7,9-12,20H,8,13-19H2,1H3,(H,24,27)/p+1/t20-/m0/s1