N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide Formula: C20H29N4O+ MolecularWeight: 341.47046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)NC(C)(C#N)C3CC3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)N[C@](C)(C#N)C3CC3)C

InChI

InChI=1S/C20H28N4O/c1-15-5-4-6-18(16(15)2)24-11-9-23(10-12-24)13-19(25)22-20(3,14-21)17-7-8-17/h4-6,17H,7-13H2,1-3H3,(H,22,25)/p+1/t20-/m1/s1