N-[(2S)-butan-2-yl]-2-[4-[(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-[4-[(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methyl]piperazin-1-ium-1-yl]-N-[(1S)-1-methylpropyl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[4-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-[4-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-[(6-chloro-4-keto-1H-quinazolin-2-yl)methyl]piperazin-1-ium-1-yl]-N-[(1S)-1-methylpropyl]acetamide Formula: C19H27ClN5O2+ MolecularWeight: 392.90298

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C[NH+]1CCN(CC1)CC2=NC(=O)C3=C(N2)C=CC(=C3)Cl

Isomeric SMILES

CC[C@H](C)NC(=O)C[NH+]1CCN(CC1)CC2=NC(=O)C3=C(N2)C=CC(=C3)Cl

InChI

InChI=1S/C19H26ClN5O2/c1-3-13(2)21-18(26)12-25-8-6-24(7-9-25)11-17-22-16-5-4-14(20)10-15(16)19(27)23-17/h4-5,10,13H,3,6-9,11-12H2,1-2H3,(H,21,26)(H,22,23,27)/p+1/t13-/m0/s1