(2,3-dimethoxyphenyl)-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (2,3-dimethoxyphenyl)-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (2,3-dimethoxyphenyl)-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (2,3-dimethoxyphenyl)-[4-[(4-nitrophenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2,3-dimethoxyphenyl)-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (2,3-dimethoxyphenyl)-[4-(4-nitrobenzyl)piperazin-4-ium-1-yl]methanone Formula: C20H24N3O5+ MolecularWeight: 386.42166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1OC)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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