quinoxalin-6-yl-[(3S)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)piperidin-1-yl]methanone

Systemtic Name: quinoxalin-6-yl-[(3S)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)piperidin-1-yl]methanone Openeye Name: quinoxalin-6-yl-[(3S)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-piperidyl]methanone CAS Name: 6-quinoxalinyl-[(3S)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-piperidinyl]methanone IUPAC Name: quinoxalin-6-yl-[(3S)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)piperidin-1-yl]methanone Traditional Name: quinoxalin-6-yl-[(3S)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)piperidino]methanone Formula: C23H25N4O+ MolecularWeight: 373.4708

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC3=NC=CN=C3C=C2)[NH+]4CCC5=CC=CC=C5C4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC3=NC=CN=C3C=C2)[NH+]4CCC5=CC=CC=C5C4

InChI

InChI=1S/C23H24N4O/c28-23(18-7-8-21-22(14-18)25-11-10-24-21)27-12-3-6-20(16-27)26-13-9-17-4-1-2-5-19(17)15-26/h1-2,4-5,7-8,10-11,14,20H,3,6,9,12-13,15-16H2/p+1/t20-/m0/s1