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

Systemtic Name: 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-pentanoyl-1,2,3,4-tetrazol-1-ium-1-yl]-3-methyl-butanamide Openeye Name: 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-pentanoyl-tetrazol-1-ium-1-yl]-3-methyl-butanamide CAS Name: 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-(1-oxopentyl)-1-tetrazol-1-iumyl]-3-methylbutanamide IUPAC Name: 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-pentanoyltetrazol-1-ium-1-yl]-3-methylbutanamide Traditional Name: 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-valeryl-tetrazol-1-ium-1-yl]-3-methyl-butyramide Formula: C24H31N6O2+ MolecularWeight: 435.54194

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C24H30N6O2/c1-4-5-10-21(31)30(22(16(2)3)23(26)32)24(27-28-29-30)20-9-7-6-8-19(20)18-13-11-17(15-25)12-14-18/h6-9,11-14,16,22H,4-5,10,15,25H2,1-3H3,(H-,26,32)/p+1