N-(2,6-diethylphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-diethylphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-diethylphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(2,6-diethylphenyl)-2-[4-(5-methyl-1-benzotriazolyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(2,6-diethylphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-diethylphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide Formula: C24H32N5O+ MolecularWeight: 406.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C[NH+]2CCC(CC2)N3C4=C(C=C(C=C4)C)N=N3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C[NH+]2CCC(CC2)N3C4=C(C=C(C=C4)C)N=N3

InChI

InChI=1S/C24H31N5O/c1-4-18-7-6-8-19(5-2)24(18)25-23(30)16-28-13-11-20(12-14-28)29-22-10-9-17(3)15-21(22)26-27-29/h6-10,15,20H,4-5,11-14,16H2,1-3H3,(H,25,30)/p+1