N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]quinoxaline-6-carboxamide

Systemtic Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]quinoxaline-6-carboxamide Openeye Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]quinoxaline-6-carboxamide CAS Name: N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-6-quinoxalinecarboxamide IUPAC Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]quinoxaline-6-carboxamide Traditional Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]quinoxaline-6-carboxamide Formula: C22H25N4O+ MolecularWeight: 361.4601

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC2=CC=CC=C2)NC(=O)C3=CC4=NC=CN=C4C=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC2=CC=CC=C2)NC(=O)C3=CC4=NC=CN=C4C=C3

InChI

InChI=1S/C22H24N4O/c27-22(18-8-9-20-21(15-18)24-12-11-23-20)25-19-7-4-13-26(16-19)14-10-17-5-2-1-3-6-17/h1-3,5-6,8-9,11-12,15,19H,4,7,10,13-14,16H2,(H,25,27)/p+1/t19-/m0/s1