ethyl (1S,2S)-2-[[2H-chromen-3-ylcarbonyl(2-pyrrolidin-1-ium-1-ylethyl)amino]methyl]cyclopropane-1-carboxylate

Systemtic Name: ethyl (1S,2S)-2-[[2H-chromen-3-ylcarbonyl(2-pyrrolidin-1-ium-1-ylethyl)amino]methyl]cyclopropane-1-carboxylate Openeye Name: ethyl (1S,2S)-2-[[2H-chromene-3-carbonyl(2-pyrrolidin-1-ium-1-ylethyl)amino]methyl]cyclopropanecarboxylate CAS Name: (1S,2S)-2-[[[2H-1-benzopyran-3-yl(oxo)methyl]-[2-(1-pyrrolidin-1-iumyl)ethyl]amino]methyl]-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2S)-2-[[2H-chromene-3-carbonyl(2-pyrrolidin-1-ium-1-ylethyl)amino]methyl]cyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-[[2H-chromene-3-carbonyl(2-pyrrolidin-1-ium-1-ylethyl)amino]methyl]cyclopropanecarboxylic acid ethyl ester Formula: C23H31N2O4+ MolecularWeight: 399.50324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC1CN(CC[NH+]2CCCC2)C(=O)C3=CC4=CC=CC=C4OC3

Isomeric SMILES

CCOC(=O)[C@H]1C[C@@H]1CN(CC[NH+]2CCCC2)C(=O)C3=CC4=CC=CC=C4OC3

InChI

InChI=1S/C23H30N2O4/c1-2-28-23(27)20-14-18(20)15-25(12-11-24-9-5-6-10-24)22(26)19-13-17-7-3-4-8-21(17)29-16-19/h3-4,7-8,13,18,20H,2,5-6,9-12,14-16H2,1H3/p+1/t18-,20+/m1/s1