3-[(4-phenylpiperidin-1-ium-1-yl)methyl]-[1,2,4]triazolo[4,3-c]quinazoline

Systemtic Name: 3-[(4-phenylpiperidin-1-ium-1-yl)methyl]-[1,2,4]triazolo[4,3-c]quinazoline Openeye Name: 3-[(4-phenylpiperidin-1-ium-1-yl)methyl]-[1,2,4]triazolo[4,3-c]quinazoline CAS Name: 3-[(4-phenyl-1-piperidin-1-iumyl)methyl]-[1,2,4]triazolo[4,3-c]quinazoline IUPAC Name: 3-[(4-phenylpiperidin-1-ium-1-yl)methyl]-[1,2,4]triazolo[4,3-c]quinazoline Traditional Name: 3-[(4-phenylpiperidin-1-ium-1-yl)methyl]-[1,2,4]triazolo[4,3-c]quinazoline Formula: C21H22N5+ MolecularWeight: 344.43288

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=CC=CC=C2)CC3=NN=C4N3C=NC5=CC=CC=C54

Isomeric SMILES

C1C[NH+](CCC1C2=CC=CC=C2)CC3=NN=C4N3C=NC5=CC=CC=C54

InChI

InChI=1S/C21H21N5/c1-2-6-16(7-3-1)17-10-12-25(13-11-17)14-20-23-24-21-18-8-4-5-9-19(18)22-15-26(20)21/h1-9,15,17H,10-14H2/p+1