1-(2-piperidin-1-ium-1-ylethyl)chromeno[3,4-d][1,2,3]triazol-4-one

Systemtic Name: 1-(2-piperidin-1-ium-1-ylethyl)chromeno[3,4-d][1,2,3]triazol-4-one Openeye Name: 1-(2-piperidin-1-ium-1-ylethyl)chromeno[3,4-d]triazol-4-one CAS Name: 1-[2-(1-piperidin-1-iumyl)ethyl]-4-[1]benzopyrano[3,4-d]triazolone IUPAC Name: 1-(2-piperidin-1-ium-1-ylethyl)chromeno[3,4-d]triazol-4-one Traditional Name: 1-(2-piperidin-1-ium-1-ylethyl)chromeno[3,4-d]triazol-4-one Formula: C16H19N4O2+ MolecularWeight: 299.34766

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C3=C(C(=O)OC4=CC=CC=C43)N=N2

Isomeric SMILES

C1CC[NH+](CC1)CCN2C3=C(C(=O)OC4=CC=CC=C43)N=N2

InChI

InChI=1S/C16H18N4O2/c21-16-14-15(12-6-2-3-7-13(12)22-16)20(18-17-14)11-10-19-8-4-1-5-9-19/h2-3,6-7H,1,4-5,8-11H2/p+1