(3R)-1-(2-ethylphenyl)-5-oxidanylidene-N-(1-propan-2-ylpiperidin-1-ium-4-yl)pyrrolidine-3-carboxamide

Systemtic Name: (3R)-1-(2-ethylphenyl)-5-oxidanylidene-N-(1-propan-2-ylpiperidin-1-ium-4-yl)pyrrolidine-3-carboxamide Openeye Name: (3R)-1-(2-ethylphenyl)-N-(1-isopropylpiperidin-1-ium-4-yl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3R)-1-(2-ethylphenyl)-5-oxo-N-(1-propan-2-yl-4-piperidin-1-iumyl)-3-pyrrolidinecarboxamide IUPAC Name: (3R)-1-(2-ethylphenyl)-5-oxo-N-(1-propan-2-ylpiperidin-1-ium-4-yl)pyrrolidine-3-carboxamide Traditional Name: (3R)-1-(2-ethylphenyl)-N-(1-isopropylpiperidin-1-ium-4-yl)-5-keto-pyrrolidine-3-carboxamide Formula: C21H32N3O2+ MolecularWeight: 358.49768

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2CC(CC2=O)C(=O)NC3CC[NH+](CC3)C(C)C

Isomeric SMILES

CCC1=CC=CC=C1N2C[C@@H](CC2=O)C(=O)NC3CC[NH+](CC3)C(C)C

InChI

InChI=1S/C21H31N3O2/c1-4-16-7-5-6-8-19(16)24-14-17(13-20(24)25)21(26)22-18-9-11-23(12-10-18)15(2)3/h5-8,15,17-18H,4,9-14H2,1-3H3,(H,22,26)/p+1/t17-/m1/s1