2-[2-phenyl-2-[(phenylcarbonylhydrazinylidene)methyl]-1-piperazin-1-yl-piperidin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[2-phenyl-2-[(phenylcarbonylhydrazinylidene)methyl]-1-piperazin-1-yl-piperidin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[2-[(benzoylhydrazono)methyl]-2-phenyl-1-piperazin-1-yl-piperidin-1-ium-1-yl]acetic acid CAS Name: 2-[2-[(benzoylhydrazinylidene)methyl]-2-phenyl-1-(1-piperazinyl)-1-piperidin-1-iumyl]acetic acid IUPAC Name: 2-[2-[(benzoylhydrazinylidene)methyl]-2-phenyl-1-piperazin-1-ylpiperidin-1-ium-1-yl]acetic acid Traditional Name: 2-[2-[(benzoylhydrazono)methyl]-2-phenyl-1-piperazino-piperidin-1-ium-1-yl]acetic acid Formula: C25H32N5O3+ MolecularWeight: 450.55328

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C(C1)(C=NNC(=O)C2=CC=CC=C2)C3=CC=CC=C3)(CC(=O)O)N4CCNCC4

Isomeric SMILES

C1CC[N+](C(C1)(C=NNC(=O)C2=CC=CC=C2)C3=CC=CC=C3)(CC(=O)O)N4CCNCC4

InChI

InChI=1S/C25H31N5O3/c31-23(32)19-30(29-16-14-26-15-17-29)18-8-7-13-25(30,22-11-5-2-6-12-22)20-27-28-24(33)21-9-3-1-4-10-21/h1-6,9-12,20,26H,7-8,13-19H2,(H-,28,31,32,33)/p+1