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

Systemtic Name: ethyl 3-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-pentanoyl-1,2,3,4-tetrazol-1-ium-1-yl]-2,2-dimethyl-propanoate Openeye Name: ethyl 3-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-pentanoyl-tetrazol-1-ium-1-yl]-2,2-dimethyl-propanoate CAS Name: 3-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-(1-oxopentyl)-1-tetrazol-1-iumyl]-2,2-dimethylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-pentanoyltetrazol-1-ium-1-yl]-2,2-dimethylpropanoate Traditional Name: 3-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-valeryl-tetrazol-1-ium-1-yl]-2,2-dimethyl-propionic acid ethyl ester Formula: C26H34N5O3+ MolecularWeight: 464.57986

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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)CC(C)(C)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C26H34N5O3/c1-5-7-12-23(32)31(18-26(3,4)25(33)34-6-2)24(28-29-30-31)22-11-9-8-10-21(22)20-15-13-19(17-27)14-16-20/h8-11,13-16H,5-7,12,17-18,27H2,1-4H3/q+1