N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]quinoxaline-6-carboxamide

Systemtic Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]quinoxaline-6-carboxamide Openeye Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]quinoxaline-6-carboxamide CAS Name: N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-6-quinoxalinecarboxamide IUPAC Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]quinoxaline-6-carboxamide Traditional Name: N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]quinoxaline-6-carboxamide Formula: C22H25N4O+ MolecularWeight: 361.4601

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC4=NC=CN=C4C=C3

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC4=NC=CN=C4C=C3

InChI

InChI=1S/C22H24N4O/c27-22(19-8-9-20-21(14-19)24-11-10-23-20)25-15-17-4-6-18(7-5-17)16-26-12-2-1-3-13-26/h4-11,14H,1-3,12-13,15-16H2,(H,25,27)/p+1