1,3-benzothiazol-2-ylmethyl-[(3S,5S)-5-methylheptan-3-yl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(3S,5S)-5-methylheptan-3-yl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(1S,3S)-1-ethyl-3-methyl-pentyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(3S,5S)-5-methylheptan-3-yl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(3S,5S)-5-methylheptan-3-yl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1S,3S)-1-ethyl-3-methyl-pentyl]ammonium Formula: C16H25N2S+ MolecularWeight: 277.4481

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(CC)[NH2+]CC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC[C@H](C)C[C@H](CC)[NH2+]CC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C16H24N2S/c1-4-12(3)10-13(5-2)17-11-16-18-14-8-6-7-9-15(14)19-16/h6-9,12-13,17H,4-5,10-11H2,1-3H3/p+1/t12-,13-/m0/s1