4-(1,4-diazepan-4-ium-1-ylsulfonyl)-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-(1,4-diazepan-4-ium-1-ylsulfonyl)-1,3-dihydroquinoxalin-2-one Openeye Name: 4-(1,4-diazepan-4-ium-1-ylsulfonyl)-1,3-dihydroquinoxalin-2-one CAS Name: 4-(1,4-diazepan-4-ium-1-ylsulfonyl)-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-(1,4-diazepan-4-ium-1-ylsulfonyl)-1,3-dihydroquinoxalin-2-one Traditional Name: 4-(1,4-diazepan-4-ium-1-ylsulfonyl)-1,3-dihydroquinoxalin-2-one Formula: C13H19N4O3S+ MolecularWeight: 311.37996

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)S(=O)(=O)N2CC(=O)NC3=CC=CC=C32

Isomeric SMILES

C1C[NH2+]CCN(C1)S(=O)(=O)N2CC(=O)NC3=CC=CC=C32

InChI

InChI=1S/C13H18N4O3S/c18-13-10-17(12-5-2-1-4-11(12)15-13)21(19,20)16-8-3-6-14-7-9-16/h1-2,4-5,14H,3,6-10H2,(H,15,18)/p+1