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

Systemtic Name: 4-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-pentanoyl-1,2,3,4-tetrazol-1-ium-1-yl]cyclohexane-1-carboxylic acid Openeye Name: 4-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-pentanoyl-tetrazol-1-ium-1-yl]cyclohexanecarboxylic acid CAS Name: 4-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-(1-oxopentyl)-1-tetrazol-1-iumyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-pentanoyltetrazol-1-ium-1-yl]cyclohexane-1-carboxylic acid Traditional Name: 4-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-valeryl-tetrazol-1-ium-1-yl]cyclohexanecarboxylic acid Formula: C26H32N5O3+ MolecularWeight: 462.56398

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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)C4CCC(CC4)C(=O)O

Isomeric SMILES

CCCCC(=O)[N+]1(C(=NN=N1)C2=CC=CC=C2C3=CC=C(C=C3)CN)C4CCC(CC4)C(=O)O

InChI

InChI=1S/C26H31N5O3/c1-2-3-8-24(32)31(21-15-13-20(14-16-21)26(33)34)25(28-29-30-31)23-7-5-4-6-22(23)19-11-9-18(17-27)10-12-19/h4-7,9-12,20-21H,2-3,8,13-17,27H2,1H3/p+1