(2R)-2-cyano-3-[(4-methylpiperazin-4-ium-1-yl)amino]-N-(phenylmethyl)but-3-enamide

Systemtic Name: (2R)-2-cyano-3-[(4-methylpiperazin-4-ium-1-yl)amino]-N-(phenylmethyl)but-3-enamide Openeye Name: (2R)-N-benzyl-2-cyano-3-[(4-methylpiperazin-4-ium-1-yl)amino]but-3-enamide CAS Name: (2R)-2-cyano-3-[(4-methyl-1-piperazin-4-iumyl)amino]-N-(phenylmethyl)-3-butenamide IUPAC Name: (2R)-N-benzyl-2-cyano-3-[(4-methylpiperazin-4-ium-1-yl)amino]but-3-enamide Traditional Name: (2R)-N-benzyl-2-cyano-3-[(4-methylpiperazin-4-ium-1-yl)amino]but-3-enamide Formula: C17H24N5O+ MolecularWeight: 314.40536

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=C)C(C#N)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=C)[C@H](C#N)C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C17H23N5O/c1-14(20-22-10-8-21(2)9-11-22)16(12-18)17(23)19-13-15-6-4-3-5-7-15/h3-7,16,20H,1,8-11,13H2,2H3,(H,19,23)/p+1/t16-/m0/s1