N,N-dimethyl-4-[(1S)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N,N-dimethyl-4-[(1S)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]piperazin-4-ium-1-carboxamide Openeye Name: N,N-dimethyl-4-[(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]piperazin-4-ium-1-carboxamide CAS Name: N,N-dimethyl-4-[(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N,N-dimethyl-4-[(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-[(1S)-1-(4-keto-1H-quinazolin-2-yl)ethyl]-N,N-dimethyl-piperazin-4-ium-1-carboxamide Formula: C17H24N5O2+ MolecularWeight: 330.40476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCN(CC3)C(=O)N(C)C

Isomeric SMILES

C[C@@H](C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCN(CC3)C(=O)N(C)C

InChI

InChI=1S/C17H23N5O2/c1-12(21-8-10-22(11-9-21)17(24)20(2)3)15-18-14-7-5-4-6-13(14)16(23)19-15/h4-7,12H,8-11H2,1-3H3,(H,18,19,23)/p+1/t12-/m0/s1