[4-[(Z)-(2-piperidin-1-ium-1-ylethanoylhydrazinylidene)methyl]phenyl] benzoate

Systemtic Name: [4-[(Z)-(2-piperidin-1-ium-1-ylethanoylhydrazinylidene)methyl]phenyl] benzoate Openeye Name: [4-[(Z)-[(2-piperidin-1-ium-1-ylacetyl)hydrazono]methyl]phenyl] benzoate CAS Name: benzoic acid [4-[(Z)-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(Z)-[(2-piperidin-1-ium-1-ylacetyl)hydrazinylidene]methyl]phenyl] benzoate Traditional Name: benzoic acid [4-[(Z)-[(2-piperidin-1-ium-1-ylacetyl)hydrazono]methyl]phenyl] ester Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)NN=CC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)N/N=C\C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3/c25-20(16-24-13-5-2-6-14-24)23-22-15-17-9-11-19(12-10-17)27-21(26)18-7-3-1-4-8-18/h1,3-4,7-12,15H,2,5-6,13-14,16H2,(H,23,25)/p+1/b22-15-