1-(4-methoxyphenyl)-4-(phenylmethyl)piperazin-4-ium-2,6-dione

Systemtic Name: 1-(4-methoxyphenyl)-4-(phenylmethyl)piperazin-4-ium-2,6-dione Openeye Name: 4-benzyl-1-(4-methoxyphenyl)piperazin-4-ium-2,6-dione CAS Name: 1-(4-methoxyphenyl)-4-(phenylmethyl)piperazin-4-ium-2,6-dione IUPAC Name: 4-benzyl-1-(4-methoxyphenyl)piperazin-4-ium-2,6-dione Traditional Name: 4-benzyl-1-(4-methoxyphenyl)piperazin-4-ium-2,6-quinone Formula: C18H19N2O3+ MolecularWeight: 311.35506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C[NH+](CC2=O)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C[NH+](CC2=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H18N2O3/c1-23-16-9-7-15(8-10-16)20-17(21)12-19(13-18(20)22)11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3/p+1