11-(12-azanyl-1,4,7,10-tetrazacyclotridec-12-yl)undecanoic acid hydrochloride

Systemtic Name: 11-(12-azanyl-1,4,7,10-tetrazacyclotridec-12-yl)undecanoic acid hydrochloride Openeye Name: 11-(12-amino-1,4,7,10-tetrazacyclotridec-12-yl)undecanoic acid hydrochloride CAS Name: 11-(12-amino-1,4,7,10-tetrazacyclotridec-12-yl)undecanoic acid hydrochloride IUPAC Name: 11-(12-amino-1,4,7,10-tetrazacyclotridec-12-yl)undecanoic acid hydrochloride Traditional Name: 11-(12-amino-1,4,7,10-tetrazacyclotridec-12-yl)undecanoic acid hydrochloride Formula: C20H44ClN5O2 MolecularWeight: 422.04866

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNCC(CNCCN1)(CCCCCCCCCCC(=O)O)N.Cl

Isomeric SMILES

C1CNCCNCC(CNCCN1)(CCCCCCCCCCC(=O)O)N.Cl

InChI

InChI=1S/C20H43N5O2.ClH/c21-20(10-8-6-4-2-1-3-5-7-9-19(26)27)17-24-15-13-22-11-12-23-14-16-25-18-20;/h22-25H,1-18,21H2,(H,26,27);1H