(2S,4R)-1-[(E)-2-methylbut-2-enyl]-4-pyridin-2-ylsulfanyl-N-quinoxalin-6-yl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-1-[(E)-2-methylbut-2-enyl]-4-pyridin-2-ylsulfanyl-N-quinoxalin-6-yl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-1-[(E)-2-methylbut-2-enyl]-4-(2-pyridylsulfanyl)-N-quinoxalin-6-yl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-1-[(E)-2-methylbut-2-enyl]-4-(2-pyridinylthio)-N-(6-quinoxalinyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-1-[(E)-2-methylbut-2-enyl]-4-pyridin-2-ylsulfanyl-N-quinoxalin-6-ylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-1-[(E)-2-methylbut-2-enyl]-4-(2-pyridylthio)-N-quinoxalin-6-yl-pyrrolidin-1-ium-2-carboxamide Formula: C23H26N5OS+ MolecularWeight: 420.55044

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C[NH+]1CC(CC1C(=O)NC2=CC3=NC=CN=C3C=C2)SC4=CC=CC=N4

Isomeric SMILES

C/C=C(\C)/C[NH+]1C[C@@H](C[C@H]1C(=O)NC2=CC3=NC=CN=C3C=C2)SC4=CC=CC=N4

InChI

InChI=1S/C23H25N5OS/c1-3-16(2)14-28-15-18(30-22-6-4-5-9-26-22)13-21(28)23(29)27-17-7-8-19-20(12-17)25-11-10-24-19/h3-12,18,21H,13-15H2,1-2H3,(H,27,29)/p+1/b16-3+/t18-,21+/m1/s1