N-[(2S)-3-methylbutan-2-yl]-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-[(2S)-3-methylbutan-2-yl]-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(1S)-1,2-dimethylpropyl]acetamide CAS Name: N-[(2S)-3-methylbutan-2-yl]-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(2S)-3-methylbutan-2-yl]acetamide Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(1S)-1,2-dimethylpropyl]acetamide Formula: C18H31N3O+2 MolecularWeight: 305.45824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)C[NH+]1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(C)C)NC(=O)C[NH+]1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C18H29N3O/c1-15(2)16(3)19-18(22)14-21-11-9-20(10-12-21)13-17-7-5-4-6-8-17/h4-8,15-16H,9-14H2,1-3H3,(H,19,22)/p+2/t16-/m0/s1