[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl]-(1,3-benzothiazol-2-ylmethyl)-methyl-azanium

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl]-(1,3-benzothiazol-2-ylmethyl)-methyl-azanium Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl]-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium CAS Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl]-(1,3-benzothiazol-2-ylmethyl)-methylammonium IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl]-(1,3-benzothiazol-2-ylmethyl)-methylazanium Traditional Name: [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl]-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium Formula: C22H30N3OS+ MolecularWeight: 384.5581

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)[NH+](C)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)[NH+](C)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H29N3OS/c1-14(25(2)13-20-23-18-5-3-4-6-19(18)27-20)21(26)24-22-10-15-7-16(11-22)9-17(8-15)12-22/h3-6,14-17H,7-13H2,1-2H3,(H,24,26)/p+1/t14-,15?,16?,17?,22?/m1/s1