(3S)-N-[4-(furan-2-yl)phenyl]-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[4-(furan-2-yl)phenyl]-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[4-(2-furyl)phenyl]-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[4-(2-furanyl)phenyl]-1-[(3-methyl-2-quinoxalinyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[4-(furan-2-yl)phenyl]-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[4-(2-furyl)phenyl]-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-1-ium-3-carboxamide Formula: C26H27N4O2+ MolecularWeight: 427.51818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1C[NH+]3CCCC(C3)C(=O)NC4=CC=C(C=C4)C5=CC=CO5

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1C[NH+]3CCC[C@@H](C3)C(=O)NC4=CC=C(C=C4)C5=CC=CO5

InChI

InChI=1S/C26H26N4O2/c1-18-24(29-23-8-3-2-7-22(23)27-18)17-30-14-4-6-20(16-30)26(31)28-21-12-10-19(11-13-21)25-9-5-15-32-25/h2-3,5,7-13,15,20H,4,6,14,16-17H2,1H3,(H,28,31)/p+1/t20-/m0/s1