N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]quinoxaline-6-carboxamide

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]quinoxaline-6-carboxamide Openeye Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]quinoxaline-6-carboxamide CAS Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-6-quinoxalinecarboxamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]quinoxaline-6-carboxamide Traditional Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]quinoxaline-6-carboxamide Formula: C23H25N4O+ MolecularWeight: 373.4708

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC3=CC=CC=C3C2)NC(=O)C4=CC5=NC=CN=C5C=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC3=CC=CC=C3C2)NC(=O)C4=CC5=NC=CN=C5C=C4

InChI

InChI=1S/C23H24N4O/c28-23(18-7-8-21-22(14-18)25-10-9-24-21)26-19-6-3-11-27(15-19)20-12-16-4-1-2-5-17(16)13-20/h1-2,4-5,7-10,14,19-20H,3,6,11-13,15H2,(H,26,28)/p+1/t19-/m0/s1