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

Systemtic Name: methyl 4-[[4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenoxy]methyl]benzoate Openeye Name: methyl 4-[[4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenoxy]methyl]benzoate CAS Name: 4-[[4-[(Z)-(4-methyl-1-piperazin-4-iumyl)iminomethyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenoxy]methyl]benzoate Traditional Name: 4-[[4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenoxy]methyl]benzoic acid methyl ester Formula: C21H26N3O3+ MolecularWeight: 368.44944

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3/c1-23-11-13-24(14-12-23)22-15-17-5-9-20(10-6-17)27-16-18-3-7-19(8-4-18)21(25)26-2/h3-10,15H,11-14,16H2,1-2H3/p+1/b22-15-