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

Systemtic Name: 1-adamantyl-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-keto-ethyl]ammonium Formula: C21H28N3OS+ MolecularWeight: 370.53152

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)C[NH2+]C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)C[NH2+]C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H27N3OS/c1-24(13-19-23-17-4-2-3-5-18(17)26-19)20(25)12-22-21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,14-16,22H,6-13H2,1H3/p+1