1-adamantyl-[2-[[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1-adamantyl-[2-[[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-[[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-[[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-2-pyrrolyl]amino]-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-[[3-cyano-1-(3-fluorophenyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-[[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-keto-ethyl]ammonium Formula: C25H30FN4O+ MolecularWeight: 421.530303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3)C5=CC(=CC=C5)F)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3)C5=CC(=CC=C5)F)C

InChI

InChI=1S/C25H29FN4O/c1-15-16(2)30(21-5-3-4-20(26)9-21)24(22(15)13-27)29-23(31)14-28-25-10-17-6-18(11-25)8-19(7-17)12-25/h3-5,9,17-19,28H,6-8,10-12,14H2,1-2H3,(H,29,31)/p+1