N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]acetamide Formula: C20H30N4O+2 MolecularWeight: 342.4784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC(=O)NC(C)(C#N)C3CC3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC(=O)N[C@](C)(C#N)C3CC3

InChI

InChI=1S/C20H28N4O/c1-16-5-3-4-6-17(16)13-23-9-11-24(12-10-23)14-19(25)22-20(2,15-21)18-7-8-18/h3-6,18H,7-14H2,1-2H3,(H,22,25)/p+2/t20-/m1/s1