1-adamantyl-[(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: 1-adamantyl-[(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl]-(1-adamantyl)ammonium CAS Name: [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-(1-adamantyl)ammonium IUPAC Name: [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-(1-adamantyl)azanium Traditional Name: [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl]-(1-adamantyl)ammonium Formula: C21H31N2O2+ MolecularWeight: 343.48304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)[NH2+]C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H30N2O2/c1-11-18(14(4)24)12(2)22-19(11)20(25)13(3)23-21-8-15-5-16(9-21)7-17(6-15)10-21/h13,15-17,22-23H,5-10H2,1-4H3/p+1/t13-,15?,16?,17?,21?/m0/s1