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

Systemtic Name: 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-pentanoyl-1,2,3,4-tetrazol-1-ium-1-yl]-3,3-dimethyl-butanoic acid Openeye Name: 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-pentanoyl-tetrazol-1-ium-1-yl]-3,3-dimethyl-butanoic acid CAS Name: 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-(1-oxopentyl)-1-tetrazol-1-iumyl]-3,3-dimethylbutanoic acid IUPAC Name: 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-pentanoyltetrazol-1-ium-1-yl]-3,3-dimethylbutanoic acid Traditional Name: 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-valeryl-tetrazol-1-ium-1-yl]-3,3-dimethyl-butyric acid Formula: C25H32N5O3+ MolecularWeight: 450.55328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N5O3/c1-5-6-11-21(31)30(22(24(32)33)25(2,3)4)23(27-28-29-30)20-10-8-7-9-19(20)18-14-12-17(16-26)13-15-18/h7-10,12-15,22H,5-6,11,16,26H2,1-4H3/p+1