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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)ethyl-[(3S,5S)-5-methylheptan-3-yl]azanium Openeye Name: 2-(1,3-benzothiazol-2-yl)ethyl-[(1S,3S)-1-ethyl-3-methyl-pentyl]ammonium CAS Name: 2-(1,3-benzothiazol-2-yl)ethyl-[(3S,5S)-5-methylheptan-3-yl]ammonium IUPAC Name: 2-(1,3-benzothiazol-2-yl)ethyl-[(3S,5S)-5-methylheptan-3-yl]azanium Traditional Name: 2-(1,3-benzothiazol-2-yl)ethyl-[(1S,3S)-1-ethyl-3-methyl-pentyl]ammonium Formula: C17H27N2S+ MolecularWeight: 291.47468

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(CC)[NH2+]CCC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC[C@H](C)C[C@H](CC)[NH2+]CCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C17H26N2S/c1-4-13(3)12-14(5-2)18-11-10-17-19-15-8-6-7-9-16(15)20-17/h6-9,13-14,18H,4-5,10-12H2,1-3H3/p+1/t13-,14-/m0/s1