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

Systemtic Name: ethyl 3-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-pentanoyl-1,2,3,4-tetrazol-1-ium-1-yl]cyclohexane-1-carboxylate Openeye Name: ethyl 3-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-pentanoyl-tetrazol-1-ium-1-yl]cyclohexanecarboxylate CAS Name: 3-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-(1-oxopentyl)-1-tetrazol-1-iumyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-pentanoyltetrazol-1-ium-1-yl]cyclohexane-1-carboxylate Traditional Name: 3-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-valeryl-tetrazol-1-ium-1-yl]cyclohexanecarboxylic acid ethyl ester Formula: C28H36N5O3+ MolecularWeight: 490.61714

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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)C4CCCC(C4)C(=O)OCC

Isomeric SMILES

CCCCC(=O)[N+]1(C(=NN=N1)C2=CC=CC=C2C3=CC=C(C=C3)CN)C4CCCC(C4)C(=O)OCC

InChI

InChI=1S/C28H36N5O3/c1-3-5-13-26(34)33(23-10-8-9-22(18-23)28(35)36-4-2)27(30-31-32-33)25-12-7-6-11-24(25)21-16-14-20(19-29)15-17-21/h6-7,11-12,14-17,22-23H,3-5,8-10,13,18-19,29H2,1-2H3/q+1