[4-[(3,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone

Systemtic Name: [4-[(3,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Openeye Name: [4-[(3,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone CAS Name: [4-[(3,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-(4-nitrophenyl)methanone IUPAC Name: [4-[(3,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Traditional Name: [4-(3,5-dimethoxybenzyl)piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Formula: C20H24N3O5+ MolecularWeight: 386.42166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5/c1-27-18-11-15(12-19(13-18)28-2)14-21-7-9-22(10-8-21)20(24)16-3-5-17(6-4-16)23(25)26/h3-6,11-13H,7-10,14H2,1-2H3/p+1