methyl 2-[4-(3-azanylpropyl)-1,4,7-triazonan-1-yl]ethanoate

Systemtic Name: methyl 2-[4-(3-azanylpropyl)-1,4,7-triazonan-1-yl]ethanoate Openeye Name: methyl 2-[4-(3-aminopropyl)-1,4,7-triazonan-1-yl]acetate CAS Name: 2-[4-(3-aminopropyl)-1,4,7-triazonan-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(3-aminopropyl)-1,4,7-triazonan-1-yl]acetate Traditional Name: 2-[4-(3-aminopropyl)-1,4,7-triazonan-1-yl]acetic acid methyl ester Formula: C12H26N4O2 MolecularWeight: 258.36044

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1CCNCCN(CC1)CCCN

Isomeric SMILES

COC(=O)CN1CCNCCN(CC1)CCCN

InChI

InChI=1S/C12H26N4O2/c1-18-12(17)11-16-8-5-14-4-7-15(9-10-16)6-2-3-13/h14H,2-11,13H2,1H3