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

Systemtic Name: [4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-nitro-phenyl]-phenyl-methanone Openeye Name: [4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-nitro-phenyl]-phenyl-methanone CAS Name: [4-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-nitrophenyl]-phenylmethanone IUPAC Name: [4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-nitrophenyl]-phenylmethanone Traditional Name: [3-nitro-4-(4-veratrylpiperazin-4-ium-1-yl)phenyl]-phenyl-methanone Formula: C26H28N3O5+ MolecularWeight: 462.51762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C26H27N3O5/c1-33-24-11-8-19(16-25(24)34-2)18-27-12-14-28(15-13-27)22-10-9-21(17-23(22)29(31)32)26(30)20-6-4-3-5-7-20/h3-11,16-17H,12-15,18H2,1-2H3/p+1