N-tert-butyl-2-[4-[(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[(2-keto-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperazin-1-ium-1-yl]acetamide Formula: C19H29N4O4S+ MolecularWeight: 409.52296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3

InChI

InChI=1S/C19H28N4O4S/c1-19(2,3)21-18(25)13-22-8-10-23(11-9-22)28(26,27)15-5-6-16-14(12-15)4-7-17(24)20-16/h5-6,12H,4,7-11,13H2,1-3H3,(H,20,24)(H,21,25)/p+1