2-[(2R)-1-(2,2-diphenylethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: 2-[(2R)-1-(2,2-diphenylethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[(2R)-1-(2,2-diphenylethyl)-3-oxo-piperazin-1-ium-2-yl]-N-methyl-N-(3-pyridylmethyl)acetamide CAS Name: 2-[(2R)-1-(2,2-diphenylethyl)-3-oxo-2-piperazin-1-iumyl]-N-methyl-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[(2R)-1-(2,2-diphenylethyl)-3-oxopiperazin-1-ium-2-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[(2R)-1-(2,2-diphenylethyl)-3-keto-piperazin-1-ium-2-yl]-N-methyl-N-(3-pyridylmethyl)acetamide Formula: C27H31N4O2+ MolecularWeight: 443.56064

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN=CC=C1)C(=O)CC2C(=O)NCC[NH+]2CC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN(CC1=CN=CC=C1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H30N4O2/c1-30(19-21-9-8-14-28-18-21)26(32)17-25-27(33)29-15-16-31(25)20-24(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-14,18,24-25H,15-17,19-20H2,1H3,(H,29,33)/p+1/t25-/m1/s1