2-[3-[1-[(2S)-3-methyl-1-oxidanylidene-1-piperazin-1-yl-pentan-2-yl]-1,2,3-triazol-4-yl]propyl]guanidine

Systemtic Name: 2-[3-[1-[(2S)-3-methyl-1-oxidanylidene-1-piperazin-1-yl-pentan-2-yl]-1,2,3-triazol-4-yl]propyl]guanidine Openeye Name: 2-[3-[1-[(1S)-2-methyl-1-(piperazine-1-carbonyl)butyl]triazol-4-yl]propyl]guanidine CAS Name: 2-[3-[1-[(2S)-3-methyl-1-oxo-1-(1-piperazinyl)pentan-2-yl]-4-triazolyl]propyl]guanidine IUPAC Name: 2-[3-[1-[(2S)-3-methyl-1-oxo-1-piperazin-1-ylpentan-2-yl]triazol-4-yl]propyl]guanidine Traditional Name: 2-[3-[1-[(1S)-2-methyl-1-(piperazine-1-carbonyl)butyl]triazol-4-yl]propyl]guanidine Formula: C16H30N8O MolecularWeight: 350.4624

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCNCC1)N2C=C(N=N2)CCCN=C(N)N

Isomeric SMILES

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

InChI

InChI=1S/C16H30N8O/c1-3-12(2)14(15(25)23-9-7-19-8-10-23)24-11-13(21-22-24)5-4-6-20-16(17)18/h11-12,14,19H,3-10H2,1-2H3,(H4,17,18,20)/t12?,14-/m0/s1