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

Systemtic Name: N-(2-methylphenyl)-2-[5-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-1,2,3,4-tetrazol-2-yl]ethanamide Openeye Name: 2-[5-[4-(morpholin-4-ium-4-ylmethyl)phenyl]tetrazol-2-yl]-N-(o-tolyl)acetamide CAS Name: N-(2-methylphenyl)-2-[5-[4-(4-morpholin-4-iumylmethyl)phenyl]-2-tetrazolyl]acetamide IUPAC Name: N-(2-methylphenyl)-2-[5-[4-(morpholin-4-ium-4-ylmethyl)phenyl]tetrazol-2-yl]acetamide Traditional Name: 2-[5-[4-(morpholin-4-ium-4-ylmethyl)phenyl]tetrazol-2-yl]-N-(o-tolyl)acetamide Formula: C21H25N6O2+ MolecularWeight: 393.4622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CN2N=C(N=N2)C3=CC=C(C=C3)C[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CN2N=C(N=N2)C3=CC=C(C=C3)C[NH+]4CCOCC4

InChI

InChI=1S/C21H24N6O2/c1-16-4-2-3-5-19(16)22-20(28)15-27-24-21(23-25-27)18-8-6-17(7-9-18)14-26-10-12-29-13-11-26/h2-9H,10-15H2,1H3,(H,22,28)/p+1