methyl (2S,4R)-1-[[(1S,5R)-6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methyl]-4-[(4-methoxyphenyl)carbonylamino]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4R)-1-[[(1S,5R)-6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methyl]-4-[(4-methoxyphenyl)carbonylamino]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4R)-1-[[(1S,5R)-6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methyl]-4-[(4-methoxybenzoyl)amino]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-1-[[(1S,5R)-6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methyl]-4-[[(4-methoxyphenyl)-oxomethyl]amino]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-1-[[(1S,5R)-6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methyl]-4-[(4-methoxybenzoyl)amino]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-1-[[(1S,5R)-6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methyl]-4-(p-anisoylamino)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C24H33N2O4+ MolecularWeight: 413.52982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CC=C(C1C2)C[NH+]3CC(CC3C(=O)OC)NC(=O)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1([C@H]2CC=C([C@@H]1C2)C[NH+]3C[C@@H](C[C@H]3C(=O)OC)NC(=O)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C24H32N2O4/c1-24(2)17-8-5-16(20(24)11-17)13-26-14-18(12-21(26)23(28)30-4)25-22(27)15-6-9-19(29-3)10-7-15/h5-7,9-10,17-18,20-21H,8,11-14H2,1-4H3,(H,25,27)/p+1/t17-,18+,20-,21-/m0/s1