N-(2,6-dimethylphenyl)-2-[5-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-1,2,3,4-tetrazol-2-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[5-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-1,2,3,4-tetrazol-2-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[5-[4-(morpholin-4-ium-4-ylmethyl)phenyl]tetrazol-2-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[5-[4-(4-morpholin-4-iumylmethyl)phenyl]-2-tetrazolyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[5-[4-(morpholin-4-ium-4-ylmethyl)phenyl]tetrazol-2-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[5-[4-(morpholin-4-ium-4-ylmethyl)phenyl]tetrazol-2-yl]acetamide Formula: C22H27N6O2+ MolecularWeight: 407.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2N=C(N=N2)C3=CC=C(C=C3)C[NH+]4CCOCC4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2N=C(N=N2)C3=CC=C(C=C3)C[NH+]4CCOCC4

InChI

InChI=1S/C22H26N6O2/c1-16-4-3-5-17(2)21(16)23-20(29)15-28-25-22(24-26-28)19-8-6-18(7-9-19)14-27-10-12-30-13-11-27/h3-9H,10-15H2,1-2H3,(H,23,29)/p+1