[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-[(2S)-2-ethylhexyl]azanium

Systemtic Name: [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-[(2S)-2-ethylhexyl]azanium Openeye Name: [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-[(2S)-2-ethylhexyl]ammonium CAS Name: [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-[(2S)-2-ethylhexyl]ammonium IUPAC Name: [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-[(2S)-2-ethylhexyl]azanium Traditional Name: [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-[(2S)-2-ethylhexyl]ammonium Formula: C17H27N2S+ MolecularWeight: 291.47468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C[NH2+]C(C)C1=NC2=CC=CC=C2S1

Isomeric SMILES

CCCC[C@H](CC)C[NH2+][C@H](C)C1=NC2=CC=CC=C2S1

InChI

InChI=1S/C17H26N2S/c1-4-6-9-14(5-2)12-18-13(3)17-19-15-10-7-8-11-16(15)20-17/h7-8,10-11,13-14,18H,4-6,9,12H2,1-3H3/p+1/t13-,14+/m1/s1