N-[(1S)-1-(4-phenylphenyl)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(1S)-1-(4-phenylphenyl)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1S)-1-(4-phenylphenyl)ethyl]-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1S)-1-(4-phenylphenyl)ethyl]-2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1S)-1-(4-phenylphenyl)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1S)-1-(4-phenylphenyl)ethyl]-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide Formula: C26H31N4O+ MolecularWeight: 415.55054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=N4

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=N4

InChI

InChI=1S/C26H30N4O/c1-21(22-10-12-24(13-11-22)23-7-3-2-4-8-23)28-26(31)20-30-17-15-29(16-18-30)19-25-9-5-6-14-27-25/h2-14,21H,15-20H2,1H3,(H,28,31)/p+1/t21-/m0/s1