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

Systemtic Name: (3R)-5-oxidanylidene-N-(1-propan-2-ylpiperidin-1-ium-4-yl)-1-(4-propylphenyl)pyrrolidine-3-carboxamide Openeye Name: (3R)-N-(1-isopropylpiperidin-1-ium-4-yl)-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide CAS Name: (3R)-5-oxo-N-(1-propan-2-yl-4-piperidin-1-iumyl)-1-(4-propylphenyl)-3-pyrrolidinecarboxamide IUPAC Name: (3R)-5-oxo-N-(1-propan-2-ylpiperidin-1-ium-4-yl)-1-(4-propylphenyl)pyrrolidine-3-carboxamide Traditional Name: (3R)-N-(1-isopropylpiperidin-1-ium-4-yl)-5-keto-1-(4-propylphenyl)pyrrolidine-3-carboxamide Formula: C22H34N3O2+ MolecularWeight: 372.52426

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3CC[NH+](CC3)C(C)C

Isomeric SMILES

CCCC1=CC=C(C=C1)N2C[C@@H](CC2=O)C(=O)NC3CC[NH+](CC3)C(C)C

InChI

InChI=1S/C22H33N3O2/c1-4-5-17-6-8-20(9-7-17)25-15-18(14-21(25)26)22(27)23-19-10-12-24(13-11-19)16(2)3/h6-9,16,18-19H,4-5,10-15H2,1-3H3,(H,23,27)/p+1/t18-/m1/s1