N-butyl-2-[4-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-[(4-oxo-1H-quinazolin-2-yl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-[(4-oxo-1H-quinazolin-2-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-[(4-oxo-1H-quinazolin-2-yl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-[(4-keto-1H-quinazolin-2-yl)methyl]piperazin-1-ium-1-yl]acetamide Formula: C19H28N5O2+ MolecularWeight: 358.45792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)CC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)CC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C19H27N5O2/c1-2-3-8-20-18(25)14-24-11-9-23(10-12-24)13-17-21-16-7-5-4-6-15(16)19(26)22-17/h4-7H,2-3,8-14H2,1H3,(H,20,25)(H,21,22,26)/p+1