1-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-(2-phenylmethoxyethyl)-1,2,3,4-tetrazol-1-ium-1-yl]pentan-1-one

Systemtic Name: 1-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-(2-phenylmethoxyethyl)-1,2,3,4-tetrazol-1-ium-1-yl]pentan-1-one Openeye Name: 1-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-(2-benzyloxyethyl)tetrazol-1-ium-1-yl]pentan-1-one CAS Name: 1-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-(2-phenylmethoxyethyl)-1-tetrazol-1-iumyl]-1-pentanone IUPAC Name: 1-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-(2-phenylmethoxyethyl)tetrazol-1-ium-1-yl]pentan-1-one Traditional Name: 1-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-(2-benzoxyethyl)tetrazol-1-ium-1-yl]pentan-1-one Formula: C28H32N5O2+ MolecularWeight: 470.58598

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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)CCOCC4=CC=CC=C4

Isomeric SMILES

CCCCC(=O)[N+]1(C(=NN=N1)C2=CC=CC=C2C3=CC=C(C=C3)CN)CCOCC4=CC=CC=C4

InChI

InChI=1S/C28H32N5O2/c1-2-3-13-27(34)33(18-19-35-21-23-9-5-4-6-10-23)28(30-31-32-33)26-12-8-7-11-25(26)24-16-14-22(20-29)15-17-24/h4-12,14-17H,2-3,13,18-21,29H2,1H3/q+1