(4,5-dimethoxy-2-nitro-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4,5-dimethoxy-2-nitro-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(4,5-dimethoxy-2-nitro-phenyl)methanone CAS Name: (4,5-dimethoxy-2-nitrophenyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(4,5-dimethoxy-2-nitrophenyl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(4,5-dimethoxy-2-nitro-phenyl)methanone Formula: C20H24N3O5+ MolecularWeight: 386.42166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)[N+](=O)[O-])OC

InChI

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