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

Systemtic Name: cyclooctyl-[2-oxidanylidene-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium Openeye Name: cyclooctyl-[2-oxo-2-[[(R)-phenyl(2-thienyl)methyl]amino]ethyl]ammonium CAS Name: cyclooctyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]ammonium IUPAC Name: cyclooctyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium Traditional Name: cyclooctyl-[2-keto-2-[[(R)-phenyl(2-thienyl)methyl]amino]ethyl]ammonium Formula: C21H29N2OS+ MolecularWeight: 357.53276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2OS/c24-20(16-22-18-12-7-2-1-3-8-13-18)23-21(19-14-9-15-25-19)17-10-5-4-6-11-17/h4-6,9-11,14-15,18,21-22H,1-3,7-8,12-13,16H2,(H,23,24)/p+1/t21-/m1/s1