[4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone

Systemtic Name: [4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Openeye Name: [4-[(3-benzyloxy-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone CAS Name: [4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-piperazin-4-iumyl]-(4-nitrophenyl)methanone IUPAC Name: [4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Traditional Name: [4-(3-benzoxy-4-methoxy-benzyl)piperazin-4-ium-1-yl]-(4-nitrophenyl)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)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])OCC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O5/c1-33-24-12-7-21(17-25(24)34-19-20-5-3-2-4-6-20)18-27-13-15-28(16-14-27)26(30)22-8-10-23(11-9-22)29(31)32/h2-12,17H,13-16,18-19H2,1H3/p+1