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

Systemtic Name: 1-adamantyl-[(2S)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 1-adamantyl-[(1S)-2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[(2S)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]ammonium IUPAC Name: 1-adamantyl-[(2S)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]azanium Traditional Name: 1-adamantyl-[(1S)-2-(4-carbethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl]ammonium Formula: C22H33N2O3+ MolecularWeight: 373.50902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)[NH2+]C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)[NH2+]C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C22H32N2O3/c1-5-27-21(26)18-12(2)19(23-13(18)3)20(25)14(4)24-22-9-15-6-16(10-22)8-17(7-15)11-22/h14-17,23-24H,5-11H2,1-4H3/p+1/t14-,15?,16?,17?,22?/m0/s1