4-ethyl-4-methyl-1-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]piperidine-2,6-dione

Systemtic Name: 4-ethyl-4-methyl-1-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]piperidine-2,6-dione Openeye Name: 4-ethyl-4-methyl-1-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]piperidine-2,6-dione CAS Name: 4-ethyl-4-methyl-1-[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]methyl]piperidine-2,6-dione IUPAC Name: 4-ethyl-4-methyl-1-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]piperidine-2,6-dione Traditional Name: 4-ethyl-4-methyl-1-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]piperidine-2,6-quinone Formula: C21H30N3O4S+ MolecularWeight: 420.5456

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(=O)N(C(=O)C1)C[NH+]2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3)C

Isomeric SMILES

CCC1(CC(=O)N(C(=O)C1)C[NH+]2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3)C

InChI

InChI=1S/C21H29N3O4S/c1-3-21(2)15-19(25)24(20(26)16-21)17-22-10-12-23(13-11-22)29(27,28)14-9-18-7-5-4-6-8-18/h4-9,14H,3,10-13,15-17H2,1-2H3/p+1/b14-9+