2-oxidanylidene-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-N-[(1S)-1-thiophen-2-ylethyl]-1H-pyridine-3-carboxamide

Systemtic Name: 2-oxidanylidene-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-N-[(1S)-1-thiophen-2-ylethyl]-1H-pyridine-3-carboxamide Openeye Name: 2-oxo-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-N-[(1S)-1-(2-thienyl)ethyl]-1H-pyridine-3-carboxamide CAS Name: 2-oxo-6-[(4-phenyl-1-piperazin-1-iumyl)methyl]-N-[(1S)-1-thiophen-2-ylethyl]-1H-pyridine-3-carboxamide IUPAC Name: 2-oxo-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-N-[(1S)-1-thiophen-2-ylethyl]-1H-pyridine-3-carboxamide Traditional Name: 2-keto-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-N-[(1S)-1-(2-thienyl)ethyl]-1H-pyridine-3-carboxamide Formula: C23H27N4O2S+ MolecularWeight: 423.55108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC(=O)C2=CC=C(NC2=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C1=CC=CS1)NC(=O)C2=CC=C(NC2=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2S/c1-17(21-8-5-15-30-21)24-22(28)20-10-9-18(25-23(20)29)16-26-11-13-27(14-12-26)19-6-3-2-4-7-19/h2-10,15,17H,11-14,16H2,1H3,(H,24,28)(H,25,29)/p+1/t17-/m0/s1