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

Systemtic Name: [(2R,4S)-2-ethyl-4-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]hexyl]azanium Openeye Name: [(2R,4S)-2-ethyl-4-methyl-2-(4-thiazol-2-ylpiperazin-1-yl)hexyl]ammonium CAS Name: [(2R,4S)-2-ethyl-4-methyl-2-[4-(2-thiazolyl)-1-piperazinyl]hexyl]ammonium IUPAC Name: [(2R,4S)-2-ethyl-4-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]hexyl]azanium Traditional Name: [(2R,4S)-2-ethyl-4-methyl-2-(4-thiazol-2-ylpiperazino)hexyl]ammonium Formula: C16H31N4S+ MolecularWeight: 311.50914

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(CC)(C[NH3+])N1CCN(CC1)C2=NC=CS2

Isomeric SMILES

CC[C@H](C)C[C@](CC)(C[NH3+])N1CCN(CC1)C2=NC=CS2

InChI

InChI=1S/C16H30N4S/c1-4-14(3)12-16(5-2,13-17)20-9-7-19(8-10-20)15-18-6-11-21-15/h6,11,14H,4-5,7-10,12-13,17H2,1-3H3/p+1/t14-,16+/m0/s1