methyl (2S,4S)-4-(2,2-diphenylethanoylamino)-1-(1-methylpiperidin-1-ium-4-yl)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-(2,2-diphenylethanoylamino)-1-(1-methylpiperidin-1-ium-4-yl)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-[(2,2-diphenylacetyl)amino]-1-(1-methylpiperidin-1-ium-4-yl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-1-(1-methyl-4-piperidin-1-iumyl)-4-[(1-oxo-2,2-diphenylethyl)amino]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-[(2,2-diphenylacetyl)amino]-1-(1-methylpiperidin-1-ium-4-yl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-[(2,2-diphenylacetyl)amino]-1-(1-methylpiperidin-1-ium-4-yl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C26H35N3O3+2 MolecularWeight: 437.5744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CC(CC2C(=O)OC)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2C[C@H](C[C@H]2C(=O)OC)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H33N3O3/c1-28-15-13-22(14-16-28)29-18-21(17-23(29)26(31)32-2)27-25(30)24(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,21-24H,13-18H2,1-2H3,(H,27,30)/p+2/t21-,23-/m0/s1