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

Systemtic Name: 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-pentanoyl-1,2,3,4-tetrazol-1-ium-1-yl]-N,3-dimethyl-butanamide Openeye Name: 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-pentanoyl-tetrazol-1-ium-1-yl]-N,3-dimethyl-butanamide CAS Name: 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-(1-oxopentyl)-1-tetrazol-1-iumyl]-N,3-dimethylbutanamide IUPAC Name: 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-pentanoyltetrazol-1-ium-1-yl]-N,3-dimethylbutanamide Traditional Name: 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-valeryl-tetrazol-1-ium-1-yl]-N,3-dimethyl-butyramide Formula: C25H33N6O2+ MolecularWeight: 449.56852

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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)C(C(C)C)C(=O)NC

Isomeric SMILES

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

InChI

InChI=1S/C25H32N6O2/c1-5-6-11-22(32)31(23(17(2)3)25(33)27-4)24(28-29-30-31)21-10-8-7-9-20(21)19-14-12-18(16-26)13-15-19/h7-10,12-15,17,23H,5-6,11,16,26H2,1-4H3/p+1