N-(2-cyanopropan-2-yl)-N-methyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-cyanopropan-2-yl)-N-methyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1-cyano-1-methyl-ethyl)-N-methyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(2-cyanopropan-2-yl)-N-methyl-2-[4-(4-propylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-cyanopropan-2-yl)-N-methyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(1-cyano-1-methyl-ethyl)-N-methyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C20H31N4O3S+ MolecularWeight: 407.55014

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N(C)C(C)(C)C#N

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N(C)C(C)(C)C#N

InChI

InChI=1S/C20H30N4O3S/c1-5-6-17-7-9-18(10-8-17)28(26,27)24-13-11-23(12-14-24)15-19(25)22(4)20(2,3)16-21/h7-10H,5-6,11-15H2,1-4H3/p+1