N-[(3-methoxyphenyl)methyl]-2-[(2R)-3-oxidanylidene-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[(3-methoxyphenyl)methyl]-2-[(2R)-3-oxidanylidene-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[(3-methoxyphenyl)methyl]-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]acetamide CAS Name: N-[(3-methoxyphenyl)methyl]-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(3-methoxyphenyl)methyl]-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(4-phenylbenzyl)piperazin-1-ium-2-yl]-N-m-anisyl-acetamide Formula: C27H30N3O3+ MolecularWeight: 444.5454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)CC2C(=O)NCC[NH+]2CC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O3/c1-33-24-9-5-6-21(16-24)18-29-26(31)17-25-27(32)28-14-15-30(25)19-20-10-12-23(13-11-20)22-7-3-2-4-8-22/h2-13,16,25H,14-15,17-19H2,1H3,(H,28,32)(H,29,31)/p+1/t25-/m1/s1