N-(2-cyanopropan-2-yl)-N-methyl-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-cyanopropan-2-yl)-N-methyl-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(1-cyano-1-methyl-ethyl)-N-methyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2-cyanopropan-2-yl)-N-methyl-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(2-cyanopropan-2-yl)-N-methyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(1-cyano-1-methyl-ethyl)-N-methyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C17H25N4O+ MolecularWeight: 301.4066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O/c1-17(2,14-18)19(3)16(22)13-20-9-11-21(12-10-20)15-7-5-4-6-8-15/h4-8H,9-13H2,1-3H3/p+1