2-[4-[(2S)-2-phenylbutanoyl]piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-[(2S)-2-phenylbutanoyl]piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[(2S)-2-phenylbutanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(2S)-1-oxo-2-phenylbutyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[(2S)-2-phenylbutanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[(2S)-2-phenylbutanoyl]piperazin-1-ium-1-yl]acetamide Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)C(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O2/c1-2-21(20-11-7-4-8-12-20)23(28)26-15-13-25(14-16-26)18-22(27)24-17-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3,(H,24,27)/p+1/t21-/m0/s1