[2-methoxy-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenyl] 4-methoxybenzoate

Systemtic Name: [2-methoxy-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenyl] 4-methoxybenzoate Openeye Name: [2-methoxy-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [2-methoxy-4-[(Z)-(4-methyl-1-piperazin-4-iumyl)iminomethyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [2-methoxy-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenyl] ester Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4/c1-23-10-12-24(13-11-23)22-15-16-4-9-19(20(14-16)27-3)28-21(25)17-5-7-18(26-2)8-6-17/h4-9,14-15H,10-13H2,1-3H3/p+1/b22-15-