N-(2-cyanopropan-2-yl)-N-methyl-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(2-cyanopropan-2-yl)-N-methyl-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(1-cyano-1-methyl-ethyl)-N-methyl-acetamide CAS Name: N-(2-cyanopropan-2-yl)-N-methyl-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2-cyanopropan-2-yl)-N-methylacetamide Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(1-cyano-1-methyl-ethyl)-N-methyl-acetamide Formula: C18H28N4O+2 MolecularWeight: 316.44112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O/c1-18(2,15-19)20(3)17(23)14-22-11-9-21(10-12-22)13-16-7-5-4-6-8-16/h4-8H,9-14H2,1-3H3/p+2