[(2S,3S)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentan-2-yl]azanium

Systemtic Name: [(2S,3S)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentan-2-yl]azanium Openeye Name: [(1S,2S)-2-methyl-1-[(4-thiazol-2-ylpiperazin-1-yl)methyl]butyl]ammonium CAS Name: [(2S,3S)-3-methyl-1-[4-(2-thiazolyl)-1-piperazinyl]pentan-2-yl]ammonium IUPAC Name: [(2S,3S)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentan-2-yl]azanium Traditional Name: [(1S,2S)-2-methyl-1-[(4-thiazol-2-ylpiperazino)methyl]butyl]ammonium Formula: C13H25N4S+ MolecularWeight: 269.4294

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CN1CCN(CC1)C2=NC=CS2)[NH3+]

Isomeric SMILES

CC[C@H](C)[C@@H](CN1CCN(CC1)C2=NC=CS2)[NH3+]

InChI

InChI=1S/C13H24N4S/c1-3-11(2)12(14)10-16-5-7-17(8-6-16)13-15-4-9-18-13/h4,9,11-12H,3,5-8,10,14H2,1-2H3/p+1/t11-,12+/m0/s1