(phenylmethyl) (2S)-2-[(E)-3-morpholin-4-ium-4-ylprop-1-enyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[(E)-3-morpholin-4-ium-4-ylprop-1-enyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[(E)-3-morpholin-4-ium-4-ylprop-1-enyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[(E)-3-(4-morpholin-4-iumyl)prop-1-enyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(E)-3-morpholin-4-ium-4-ylprop-1-enyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(E)-3-morpholin-4-ium-4-ylprop-1-enyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C19H27N2O3+ MolecularWeight: 331.42928

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C=CC[NH+]3CCOCC3

Isomeric SMILES

C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)/C=C/C[NH+]3CCOCC3

InChI

InChI=1S/C19H26N2O3/c22-19(24-16-17-6-2-1-3-7-17)21-11-5-9-18(21)8-4-10-20-12-14-23-15-13-20/h1-4,6-8,18H,5,9-16H2/p+1/b8-4+/t18-/m1/s1