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

Systemtic Name: methyl 4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]benzoate Openeye Name: methyl 4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]benzoate CAS Name: 4-[(Z)-(4-methyl-1-piperazin-4-iumyl)iminomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]benzoate Traditional Name: 4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]benzoic acid methyl ester Formula: C14H20N3O2+ MolecularWeight: 262.3275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O2/c1-16-7-9-17(10-8-16)15-11-12-3-5-13(6-4-12)14(18)19-2/h3-6,11H,7-10H2,1-2H3/p+1/b15-11-