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

Systemtic Name: N-[2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-pentanoyl-1,2,3,4-tetrazol-1-ium-1-yl]ethyl]ethanamide Openeye Name: N-[2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-pentanoyl-tetrazol-1-ium-1-yl]ethyl]acetamide CAS Name: N-[2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-(1-oxopentyl)-1-tetrazol-1-iumyl]ethyl]acetamide IUPAC Name: N-[2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-pentanoyltetrazol-1-ium-1-yl]ethyl]acetamide Traditional Name: N-[2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-valeryl-tetrazol-1-ium-1-yl]ethyl]acetamide Formula: C23H29N6O2+ MolecularWeight: 421.51536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N6O2/c1-3-4-9-22(31)29(15-14-25-17(2)30)23(26-27-28-29)21-8-6-5-7-20(21)19-12-10-18(16-24)11-13-19/h5-8,10-13H,3-4,9,14-16,24H2,1-2H3/p+1