2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-(2,5-dimethoxybenzyl)piperazin-4-ium-1-yl]-5-nitro-benzonitrile Formula: C20H23N4O4+ MolecularWeight: 383.42102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H22N4O4/c1-27-18-4-6-20(28-2)16(12-18)14-22-7-9-23(10-8-22)19-5-3-17(24(25)26)11-15(19)13-21/h3-6,11-12H,7-10,14H2,1-2H3/p+1