1-[2-[(2R)-3-oxidanylidene-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[(2R)-3-oxidanylidene-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]acetyl]piperidine-4-carboxamide CAS Name: 1-[1-oxo-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]-2-piperazin-1-iumyl]ethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]acetyl]piperidine-4-carboxamide Traditional Name: 1-[2-[(2R)-3-keto-1-(3-phenoxybenzyl)piperazin-1-ium-2-yl]acetyl]isonipecotamide Formula: C25H31N4O4+ MolecularWeight: 451.53804

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=O)CC2C(=O)NCC[NH+]2CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O4/c26-24(31)19-9-12-28(13-10-19)23(30)16-22-25(32)27-11-14-29(22)17-18-5-4-8-21(15-18)33-20-6-2-1-3-7-20/h1-8,15,19,22H,9-14,16-17H2,(H2,26,31)(H,27,32)/p+1/t22-/m1/s1