1,3-benzothiazol-2-ylmethyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-[[(1R,2S)-2-methylcyclohexyl]amino]ethyl]-methyl-ammonium Formula: C18H26N3OS+ MolecularWeight: 332.48354

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H25N3OS/c1-13-7-3-4-8-14(13)19-17(22)11-21(2)12-18-20-15-9-5-6-10-16(15)23-18/h5-6,9-10,13-14H,3-4,7-8,11-12H2,1-2H3,(H,19,22)/p+1/t13-,14+/m0/s1