1-(2-azanyl-2-oxidanylidene-ethyl)-4-methyl-N-[(2-methylpropan-2-yl)oxy]-1-phenyl-2-pyridin-3-yl-piperazin-1-ium-2-carboxamide

Systemtic Name: 1-(2-azanyl-2-oxidanylidene-ethyl)-4-methyl-N-[(2-methylpropan-2-yl)oxy]-1-phenyl-2-pyridin-3-yl-piperazin-1-ium-2-carboxamide Openeye Name: 1-(2-amino-2-oxo-ethyl)-N-tert-butoxy-4-methyl-1-phenyl-2-(3-pyridyl)piperazin-1-ium-2-carboxamide CAS Name: 1-(2-amino-2-oxoethyl)-4-methyl-N-[(2-methylpropan-2-yl)oxy]-1-phenyl-2-(3-pyridinyl)-2-piperazin-1-iumcarboxamide IUPAC Name: 1-(2-amino-2-oxoethyl)-4-methyl-N-[(2-methylpropan-2-yl)oxy]-1-phenyl-2-pyridin-3-ylpiperazin-1-ium-2-carboxamide Traditional Name: 1-(2-amino-2-keto-ethyl)-N-tert-butoxy-4-methyl-1-phenyl-2-(3-pyridyl)piperazin-1-ium-2-carboxamide Formula: C23H32N5O3+ MolecularWeight: 426.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)ONC(=O)C1(CN(CC[N+]1(CC(=O)N)C2=CC=CC=C2)C)C3=CN=CC=C3

Isomeric SMILES

CC(C)(C)ONC(=O)C1(CN(CC[N+]1(CC(=O)N)C2=CC=CC=C2)C)C3=CN=CC=C3

InChI

InChI=1S/C23H31N5O3/c1-22(2,3)31-26-21(30)23(18-9-8-12-25-15-18)17-27(4)13-14-28(23,16-20(24)29)19-10-6-5-7-11-19/h5-12,15H,13-14,16-17H2,1-4H3,(H2-,24,26,29,30)/p+1