1,3-benzothiazol-2-ylmethyl-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl]ammonium Formula: C18H27N2S+ MolecularWeight: 303.48538

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)[NH2+]CC2=NC3=CC=CC=C3S2)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)[NH2+]CC2=NC3=CC=CC=C3S2)C(C)C

InChI

InChI=1S/C18H26N2S/c1-12(2)14-9-8-13(3)10-16(14)19-11-18-20-15-6-4-5-7-17(15)21-18/h4-7,12-14,16,19H,8-11H2,1-3H3/p+1/t13-,14+,16-/m0/s1