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

Systemtic Name: 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-pentanoyl-1,2,3,4-tetrazol-1-ium-1-yl]-2-methyl-propanoic acid Openeye Name: 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-pentanoyl-tetrazol-1-ium-1-yl]-2-methyl-propanoic acid CAS Name: 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-(1-oxopentyl)-1-tetrazol-1-iumyl]-2-methylpropanoic acid IUPAC Name: 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-pentanoyltetrazol-1-ium-1-yl]-2-methylpropanoic acid Traditional Name: 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-valeryl-tetrazol-1-ium-1-yl]-2-methyl-propionic acid Formula: C23H28N5O3+ MolecularWeight: 422.50012

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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(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O3/c1-4-5-10-20(29)28(23(2,3)22(30)31)21(25-26-27-28)19-9-7-6-8-18(19)17-13-11-16(15-24)12-14-17/h6-9,11-14H,4-5,10,15,24H2,1-3H3/p+1