N-butyl-2-[4-(7-chloranylquinazolin-4-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-(7-chloranylquinazolin-4-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-(7-chloroquinazolin-4-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-(7-chloro-4-quinazolinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-(7-chloroquinazolin-4-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-(7-chloroquinazolin-4-yl)piperazin-1-ium-1-yl]acetamide Formula: C18H25ClN5O+ MolecularWeight: 362.877

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)C2=NC=NC3=C2C=CC(=C3)Cl

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)C2=NC=NC3=C2C=CC(=C3)Cl

InChI

InChI=1S/C18H24ClN5O/c1-2-3-6-20-17(25)12-23-7-9-24(10-8-23)18-15-5-4-14(19)11-16(15)21-13-22-18/h4-5,11,13H,2-3,6-10,12H2,1H3,(H,20,25)/p+1