N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N,2,3-trimethyl-quinoxaline-6-carboxamide

Systemtic Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N,2,3-trimethyl-quinoxaline-6-carboxamide Openeye Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N,2,3-trimethyl-quinoxaline-6-carboxamide CAS Name: N-[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]-N,2,3-trimethyl-6-quinoxalinecarboxamide IUPAC Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N,2,3-trimethylquinoxaline-6-carboxamide Traditional Name: N-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-N,2,3-trimethyl-quinoxaline-6-carboxamide Formula: C24H28FN4O+ MolecularWeight: 407.503723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)N(C)C3CCC[NH+](C3)CC4=CC=CC=C4F)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)N(C)[C@H]3CCC[NH+](C3)CC4=CC=CC=C4F)N=C1C

InChI

InChI=1S/C24H27FN4O/c1-16-17(2)27-23-13-18(10-11-22(23)26-16)24(30)28(3)20-8-6-12-29(15-20)14-19-7-4-5-9-21(19)25/h4-5,7,9-11,13,20H,6,8,12,14-15H2,1-3H3/p+1/t20-/m0/s1