ethyl (3R)-1-[2-oxidanylidene-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]amino]ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[2-oxidanylidene-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]amino]ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[2-oxo-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[2-oxo-2-[4-(1-pyrrolidin-1-iumylmethyl)anilino]ethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[2-oxo-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[2-keto-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C21H33N3O3+2 MolecularWeight: 375.50502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)CC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C21H31N3O3/c1-2-27-21(26)18-6-5-13-24(15-18)16-20(25)22-19-9-7-17(8-10-19)14-23-11-3-4-12-23/h7-10,18H,2-6,11-16H2,1H3,(H,22,25)/p+2/t18-/m1/s1