1-[[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-4-methyl-piperidine-2,6-dione

Systemtic Name: 1-[[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-4-methyl-piperidine-2,6-dione Openeye Name: 1-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-4-methyl-piperidine-2,6-dione CAS Name: 1-[[4-(4-acetylphenyl)-1-piperazin-1-iumyl]methyl]-4-ethyl-4-methylpiperidine-2,6-dione IUPAC Name: 1-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-4-methylpiperidine-2,6-dione Traditional Name: 1-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-4-methyl-piperidine-2,6-quinone Formula: C21H30N3O3+ MolecularWeight: 372.4812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3/c1-4-21(3)13-19(26)24(20(27)14-21)15-22-9-11-23(12-10-22)18-7-5-17(6-8-18)16(2)25/h5-8H,4,9-15H2,1-3H3/p+1