1,3-benzothiazol-2-ylmethyl-[(2S,6S)-2,6-dimethylcyclohexyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(2S,6S)-2,6-dimethylcyclohexyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(2S,6S)-2,6-dimethylcyclohexyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(2S,6S)-2,6-dimethylcyclohexyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(2S,6S)-2,6-dimethylcyclohexyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(2S,6S)-2,6-dimethylcyclohexyl]ammonium Formula: C16H23N2S+ MolecularWeight: 275.43222

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1[NH2+]CC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2S/c1-11-6-5-7-12(2)16(11)17-10-15-18-13-8-3-4-9-14(13)19-15/h3-4,8-9,11-12,16-17H,5-7,10H2,1-2H3/p+1/t11-,12-/m0/s1