N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]quinoxaline-5-carboxamide

Systemtic Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]quinoxaline-5-carboxamide Openeye Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]quinoxaline-5-carboxamide CAS Name: N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-5-quinoxalinecarboxamide IUPAC Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]quinoxaline-5-carboxamide Traditional Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]quinoxaline-5-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=C4C(=CC=C3)N=CC=N4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC2=CC=CC=C2)NC(=O)C3=C4C(=CC=C3)N=CC=N4

InChI

InChI=1S/C22H24N4O/c27-22(19-9-4-10-20-21(19)24-13-12-23-20)25-18-8-5-14-26(16-18)15-11-17-6-2-1-3-7-17/h1-4,6-7,9-10,12-13,18H,5,8,11,14-16H2,(H,25,27)/p+1/t18-/m0/s1