N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[4-(2-methoxy-5-methyl-benzyl)piperazine-1,4-diium-1-yl]acetamide Formula: C21H32N4O2+2 MolecularWeight: 372.50438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)CC(=O)NC(C)(C#N)C3CC3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)CC(=O)N[C@](C)(C#N)C3CC3

InChI

InChI=1S/C21H30N4O2/c1-16-4-7-19(27-3)17(12-16)13-24-8-10-25(11-9-24)14-20(26)23-21(2,15-22)18-5-6-18/h4,7,12,18H,5-6,8-11,13-14H2,1-3H3,(H,23,26)/p+2/t21-/m1/s1