cyclooctyl-[2-[[(R)-(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: cyclooctyl-[2-[[(R)-(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: cyclooctyl-[2-[[(R)-(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-oxo-ethyl]ammonium CAS Name: cyclooctyl-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]ammonium IUPAC Name: cyclooctyl-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]azanium Traditional Name: cyclooctyl-[2-[[(R)-(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-keto-ethyl]ammonium Formula: C21H28FN2OS+ MolecularWeight: 375.523223

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)[NH2+]CC(=O)NC(C2=CC=C(C=C2)F)C3=CC=CS3

Isomeric SMILES

C1CCCC(CCC1)[NH2+]CC(=O)N[C@H](C2=CC=C(C=C2)F)C3=CC=CS3

InChI

InChI=1S/C21H27FN2OS/c22-17-12-10-16(11-13-17)21(19-9-6-14-26-19)24-20(25)15-23-18-7-4-2-1-3-5-8-18/h6,9-14,18,21,23H,1-5,7-8,15H2,(H,24,25)/p+1/t21-/m1/s1