2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)ethanamide

Systemtic Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)ethanamide Openeye Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N-indan-5-yl-acetamide CAS Name: 2-[4-(1-benzotriazolyl)-1-piperidin-1-iumyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide IUPAC Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide Traditional Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N-indan-5-yl-acetamide Formula: C22H26N5O+ MolecularWeight: 376.47474

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)NC(=O)C[NH+]3CCC(CC3)N4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)NC(=O)C[NH+]3CCC(CC3)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C22H25N5O/c28-22(23-18-9-8-16-4-3-5-17(16)14-18)15-26-12-10-19(11-13-26)27-21-7-2-1-6-20(21)24-25-27/h1-2,6-9,14,19H,3-5,10-13,15H2,(H,23,28)/p+1