N-(2-cyanoethyl)-N-methyl-2-[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-methyl-2-[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-cyanoethyl)-2-[4-(4-isopropylbenzoyl)piperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: N-(2-cyanoethyl)-N-methyl-2-[4-[oxo-(4-propan-2-ylphenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-cyanoethyl)-N-methyl-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-(4-cumoylpiperazin-1-ium-1-yl)-N-(2-cyanoethyl)-N-methyl-acetamide Formula: C20H29N4O2+ MolecularWeight: 357.46986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)N(C)CCC#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)N(C)CCC#N

InChI

InChI=1S/C20H28N4O2/c1-16(2)17-5-7-18(8-6-17)20(26)24-13-11-23(12-14-24)15-19(25)22(3)10-4-9-21/h5-8,16H,4,10-15H2,1-3H3/p+1