methyl 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-pentanoyl-1,2,3,4-tetrazol-1-ium-1-yl]-3-methyl-butanoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N5O3/c1-5-6-11-22(31)30(23(17(2)3)25(32)33-4)24(27-28-29-30)21-10-8-7-9-20(21)19-14-12-18(16-26)13-15-19/h7-10,12-15,17,23H,5-6,11,16,26H2,1-4H3/q+1