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

Systemtic Name: 4-chloranyl-N-[2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-yl]benzamide Openeye Name: 4-chloro-N-[2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-yl]benzamide CAS Name: 4-chloro-N-[2-(1-piperidin-1-iumylmethyl)-4-quinazolinyl]benzamide IUPAC Name: 4-chloro-N-[2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-yl]benzamide Traditional Name: 4-chloro-N-[2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-yl]benzamide Formula: C21H22ClN4O+ MolecularWeight: 381.87858

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O/c22-16-10-8-15(9-11-16)21(27)25-20-17-6-2-3-7-18(17)23-19(24-20)14-26-12-4-1-5-13-26/h2-3,6-11H,1,4-5,12-14H2,(H,23,24,25,27)/p+1