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

Systemtic Name: 2-[4-[(2S)-2-methylbutanoyl]piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[(2S)-2-methylbutanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(2S)-2-methyl-1-oxobutyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[(2S)-2-methylbutanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[(2S)-2-methylbutanoyl]piperazin-1-ium-1-yl]acetamide Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)N1CC[NH+](CC1)CC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)C(=O)N1CC[NH+](CC1)CC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C18H27N3O2/c1-3-15(2)18(23)21-11-9-20(10-12-21)14-17(22)19-13-16-7-5-4-6-8-16/h4-8,15H,3,9-14H2,1-2H3,(H,19,22)/p+1/t15-/m0/s1