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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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