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

Systemtic Name: 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-methoxycarbonyl-1,2,3,4-tetrazol-1-ium-1-yl]-3-methyl-butanoic acid Openeye Name: 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-methoxycarbonyl-tetrazol-1-ium-1-yl]-3-methyl-butanoic acid CAS Name: 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-methoxycarbonyl-1-tetrazol-1-iumyl]-3-methylbutanoic acid IUPAC Name: 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-methoxycarbonyltetrazol-1-ium-1-yl]-3-methylbutanoic acid Traditional Name: 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-carbomethoxy-tetrazol-1-ium-1-yl]-3-methyl-butyric acid Formula: C21H24N5O4+ MolecularWeight: 410.44636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O4/c1-13(2)18(20(27)28)26(21(29)30-3)19(23-24-25-26)17-7-5-4-6-16(17)15-10-8-14(12-22)9-11-15/h4-11,13,18H,12,22H2,1-3H3/p+1