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

Systemtic Name: 2-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-[(1S)-1-cyano-1-cyclopropyl-ethyl]ethanamide Openeye Name: 2-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-[(1S)-1-cyano-1-cyclopropyl-ethyl]acetamide CAS Name: 2-[4-[(3-chlorophenyl)methyl]-1-piperazin-1-iumyl]-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide IUPAC Name: 2-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide Traditional Name: 2-[4-(3-chlorobenzyl)piperazin-1-ium-1-yl]-N-[(1S)-1-cyano-1-cyclopropyl-ethyl]acetamide Formula: C19H26ClN4O+ MolecularWeight: 361.88894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25ClN4O/c1-19(14-21,16-5-6-16)22-18(25)13-24-9-7-23(8-10-24)12-15-3-2-4-17(20)11-15/h2-4,11,16H,5-10,12-13H2,1H3,(H,22,25)/p+1/t19-/m1/s1