methyl 4-[(E)-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]iminomethyl]benzoate

Systemtic Name: methyl 4-[(E)-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]iminomethyl]benzoate Openeye Name: methyl 4-[(E)-[4-(p-tolylmethyl)piperazin-4-ium-1-yl]iminomethyl]benzoate CAS Name: 4-[(E)-[4-[(4-methylphenyl)methyl]-1-piperazin-4-iumyl]iminomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]iminomethyl]benzoate Traditional Name: 4-[(E)-[4-(4-methylbenzyl)piperazin-4-ium-1-yl]iminomethyl]benzoic acid methyl ester Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)N=CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)/N=C/C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H25N3O2/c1-17-3-5-19(6-4-17)16-23-11-13-24(14-12-23)22-15-18-7-9-20(10-8-18)21(25)26-2/h3-10,15H,11-14,16H2,1-2H3/p+1/b22-15+