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

Systemtic Name: 1-adamantyl-[2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-2-keto-ethyl]ammonium Formula: C22H30N3OS+ MolecularWeight: 384.5581

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)C[NH2+]C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)N(C)C(=O)C[NH2+]C34CC5CC(C3)CC(C5)C4

InChI

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