methyl 4-[[2-methoxy-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenoxy]methyl]benzoate

Systemtic Name: methyl 4-[[2-methoxy-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenoxy]methyl]benzoate Openeye Name: methyl 4-[[2-methoxy-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenoxy]methyl]benzoate CAS Name: 4-[[2-methoxy-4-[(Z)-(4-methyl-1-piperazin-4-iumyl)iminomethyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-methoxy-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenoxy]methyl]benzoate Traditional Name: 4-[[2-methoxy-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenoxy]methyl]benzoic acid methyl ester Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)N=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)C(=O)OC)OC

Isomeric SMILES

C[NH+]1CCN(CC1)/N=C\C2=CC(=C(C=C2)OCC3=CC=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C22H27N3O4/c1-24-10-12-25(13-11-24)23-15-18-6-9-20(21(14-18)27-2)29-16-17-4-7-19(8-5-17)22(26)28-3/h4-9,14-15H,10-13,16H2,1-3H3/p+1/b23-15-