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

Systemtic Name: methyl 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-pentanoyl-1,2,3,4-tetrazol-1-ium-1-yl]-2-methyl-propanoate Openeye Name: methyl 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-pentanoyl-tetrazol-1-ium-1-yl]-2-methyl-propanoate CAS Name: 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-(1-oxopentyl)-1-tetrazol-1-iumyl]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-pentanoyltetrazol-1-ium-1-yl]-2-methylpropanoate Traditional Name: 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-valeryl-tetrazol-1-ium-1-yl]-2-methyl-propionic acid methyl ester Formula: C24H30N5O3+ MolecularWeight: 436.5267

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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)(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(=O)OC

InChI

InChI=1S/C24H30N5O3/c1-5-6-11-21(30)29(24(2,3)23(31)32-4)22(26-27-28-29)20-10-8-7-9-19(20)18-14-12-17(16-25)13-15-18/h7-10,12-15H,5-6,11,16,25H2,1-4H3/q+1