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

Systemtic Name: [2-methoxy-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenyl] 2-chloranylbenzoate Openeye Name: [2-methoxy-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenyl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic 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] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [2-methoxy-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenyl] ester Formula: C20H23ClN3O3+ MolecularWeight: 388.86792

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)N=CC2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3Cl)OC

Isomeric SMILES

C[NH+]1CCN(CC1)/N=C\C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3Cl)OC

InChI

InChI=1S/C20H22ClN3O3/c1-23-9-11-24(12-10-23)22-14-15-7-8-18(19(13-15)26-2)27-20(25)16-5-3-4-6-17(16)21/h3-8,13-14H,9-12H2,1-2H3/p+1/b22-14-