1-adamantyl-[2-[[(S)-(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1-adamantyl-[2-[[(S)-(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-[[(S)-(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-[[(S)-(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-keto-ethyl]ammonium Formula: C23H28FN2OS+ MolecularWeight: 399.544623

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)[NH2+]CC(=O)NC(C4=CC=C(C=C4)F)C5=CC=CS5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)[NH2+]CC(=O)N[C@@H](C4=CC=C(C=C4)F)C5=CC=CS5

InChI

InChI=1S/C23H27FN2OS/c24-19-5-3-18(4-6-19)22(20-2-1-7-28-20)26-21(27)14-25-23-11-15-8-16(12-23)10-17(9-15)13-23/h1-7,15-17,22,25H,8-14H2,(H,26,27)/p+1/t15?,16?,17?,22-,23?/m0/s1