4-(1,4,7-triazonan-2-ylmethyl)benzoic acid

Systemtic Name: 4-(1,4,7-triazonan-2-ylmethyl)benzoic acid Openeye Name: 4-(1,4,7-triazonan-2-ylmethyl)benzoic acid CAS Name: 4-(1,4,7-triazonan-2-ylmethyl)benzoic acid IUPAC Name: 4-(1,4,7-triazonan-2-ylmethyl)benzoic acid Traditional Name: 4-(1,4,7-triazonan-2-ylmethyl)benzoic acid Formula: C14H21N3O2 MolecularWeight: 263.33544

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(NCCN1)CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1CNCC(NCCN1)CC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H21N3O2/c18-14(19)12-3-1-11(2-4-12)9-13-10-16-6-5-15-7-8-17-13/h1-4,13,15-17H,5-10H2,(H,18,19)