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

Systemtic Name: 3-[1-(2-azanyl-2-oxidanylidene-ethyl)-4-methyl-1-phenyl-piperazin-1-ium-2-yl]-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide Openeye Name: 3-[1-(2-amino-2-oxo-ethyl)-4-methyl-1-phenyl-piperazin-1-ium-2-yl]-N-tert-butoxy-pyridine-2-carboxamide CAS Name: 3-[1-(2-amino-2-oxoethyl)-4-methyl-1-phenyl-2-piperazin-1-iumyl]-N-[(2-methylpropan-2-yl)oxy]-2-pyridinecarboxamide IUPAC Name: 3-[1-(2-amino-2-oxoethyl)-4-methyl-1-phenylpiperazin-1-ium-2-yl]-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide Traditional Name: 3-[1-(2-amino-2-keto-ethyl)-4-methyl-1-phenyl-piperazin-1-ium-2-yl]-N-tert-butoxy-picolinamide Formula: C23H32N5O3+ MolecularWeight: 426.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)ONC(=O)C1=C(C=CC=N1)C2CN(CC[N+]2(CC(=O)N)C3=CC=CC=C3)C

Isomeric SMILES

CC(C)(C)ONC(=O)C1=C(C=CC=N1)C2CN(CC[N+]2(CC(=O)N)C3=CC=CC=C3)C

InChI

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