1-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-4-methyl-piperidine-2,6-dione

Systemtic Name: 1-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-4-methyl-piperidine-2,6-dione Openeye Name: 1-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-4-methyl-piperidine-2,6-dione CAS Name: 1-[[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]methyl]-4-ethyl-4-methylpiperidine-2,6-dione IUPAC Name: 1-[[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-4-methylpiperidine-2,6-dione Traditional Name: 1-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-4-methyl-piperidine-2,6-quinone Formula: C20H29ClN3O2+ MolecularWeight: 378.91616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28ClN3O2/c1-4-20(3)12-18(25)24(19(26)13-20)14-22-7-9-23(10-8-22)17-11-16(21)6-5-15(17)2/h5-6,11H,4,7-10,12-14H2,1-3H3/p+1