2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[4-(5-methyl-1-benzotriazolyl)-1-piperidin-1-iumyl]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(3-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(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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