2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-butanoyl-1,2,3,4-tetrazol-1-ium-1-yl]-2-methyl-propanoic acid

Systemtic Name: 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-butanoyl-1,2,3,4-tetrazol-1-ium-1-yl]-2-methyl-propanoic acid Openeye Name: 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-butanoyl-tetrazol-1-ium-1-yl]-2-methyl-propanoic acid CAS Name: 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-(1-oxobutyl)-1-tetrazol-1-iumyl]-2-methylpropanoic acid IUPAC Name: 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-butanoyltetrazol-1-ium-1-yl]-2-methylpropanoic acid Traditional Name: 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-butyryl-tetrazol-1-ium-1-yl]-2-methyl-propionic acid Formula: C22H26N5O3+ MolecularWeight: 408.47354

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)[N+]1(C(=NN=N1)C2=CC=CC=C2C3=CC=C(C=C3)CN)C(C)(C)C(=O)O

Isomeric SMILES

CCCC(=O)[N+]1(C(=NN=N1)C2=CC=CC=C2C3=CC=C(C=C3)CN)C(C)(C)C(=O)O

InChI

InChI=1S/C22H25N5O3/c1-4-7-19(28)27(22(2,3)21(29)30)20(24-25-26-27)18-9-6-5-8-17(18)16-12-10-15(14-23)11-13-16/h5-6,8-13H,4,7,14,23H2,1-3H3/p+1