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

Systemtic Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(4-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-(4-p-anisylpiperazine-1,4-diium-1-yl)acetamide Formula: C20H30N4O2+2 MolecularWeight: 358.4778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)OC

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H28N4O2/c1-20(15-21,17-5-6-17)22-19(25)14-24-11-9-23(10-12-24)13-16-3-7-18(26-2)8-4-16/h3-4,7-8,17H,5-6,9-14H2,1-2H3,(H,22,25)/p+2/t20-/m0/s1