(2S,3R)-2-[4-(4-azanylbutyl)-1,2,3-triazol-1-yl]-3-oxidanyl-1-piperazin-1-yl-butan-1-one

Systemtic Name: (2S,3R)-2-[4-(4-azanylbutyl)-1,2,3-triazol-1-yl]-3-oxidanyl-1-piperazin-1-yl-butan-1-one Openeye Name: (2S,3R)-2-[4-(4-aminobutyl)triazol-1-yl]-3-hydroxy-1-piperazin-1-yl-butan-1-one CAS Name: (2S,3R)-2-[4-(4-aminobutyl)-1-triazolyl]-3-hydroxy-1-(1-piperazinyl)-1-butanone IUPAC Name: (2S,3R)-2-[4-(4-aminobutyl)triazol-1-yl]-3-hydroxy-1-piperazin-1-ylbutan-1-one Traditional Name: (2S,3R)-2-[4-(4-aminobutyl)triazol-1-yl]-3-hydroxy-1-piperazino-butan-1-one Formula: C14H26N6O2 MolecularWeight: 310.39524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)N1CCNCC1)N2C=C(N=N2)CCCCN)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)N1CCNCC1)N2C=C(N=N2)CCCCN)O

InChI

InChI=1S/C14H26N6O2/c1-11(21)13(14(22)19-8-6-16-7-9-19)20-10-12(17-18-20)4-2-3-5-15/h10-11,13,16,21H,2-9,15H2,1H3/t11-,13+/m1/s1