2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[4-(5-methyl-1-benzotriazolyl)-1-piperidin-1-iumyl]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(4-nitrophenyl)acetamide Formula: C20H23N6O3+ MolecularWeight: 395.43502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(N=N2)C3CC[NH+](CC3)CC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N(N=N2)C3CC[NH+](CC3)CC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O3/c1-14-2-7-19-18(12-14)22-23-25(19)16-8-10-24(11-9-16)13-20(27)21-15-3-5-17(6-4-15)26(28)29/h2-7,12,16H,8-11,13H2,1H3,(H,21,27)/p+1