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4-cyano-N-[2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-yl]benzamide

4-cyano-N-[2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-yl]benzamide

Systemtic Name:4-cyano-N-[2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-yl]benzamide
Openeye Name:4-cyano-N-[2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-yl]benzamide
CAS Name:4-cyano-N-[2-(1-piperidin-1-iumylmethyl)-4-quinazolinyl]benzamide
IUPAC Name:4-cyano-N-[2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-yl]benzamide
Traditional Name:4-cyano-N-[2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-yl]benzamide
Formula: C22H22N5O+
MolecularWeight: 372.44298
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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=NC3=CC=CC=C3C(=N2)NC(=O)C4=CC=C(C=C4)C#N


Isomeric SMILES

C1CC[NH+](CC1)CC2=NC3=CC=CC=C3C(=N2)NC(=O)C4=CC=C(C=C4)C#N


InChI

InChI=1S/C22H21N5O/c23-14-16-8-10-17(11-9-16)22(28)26-21-18-6-2-3-7-19(18)24-20(25-21)15-27-12-4-1-5-13-27/h2-3,6-11H,1,4-5,12-13,15H2,(H,24,25,26,28)/p+1


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