2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 4-nitro-2-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]isoindoline-1,3-quinone Formula: C21H23N4O5+ MolecularWeight: 411.43112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5/c1-2-30-18-9-4-3-7-16(18)23-12-10-22(11-13-23)14-24-20(26)15-6-5-8-17(25(28)29)19(15)21(24)27/h3-9H,2,10-14H2,1H3/p+1