4-(2-oxidanylidenepyrrolidin-1-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]butanamide

Systemtic Name: 4-(2-oxidanylidenepyrrolidin-1-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]butanamide Openeye Name: 4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]butanamide CAS Name: 4-(2-oxo-1-pyrrolidinyl)-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]butanamide IUPAC Name: 4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]butanamide Traditional Name: 4-(2-ketopyrrolidino)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]butyramide Formula: C21H32N3O2+ MolecularWeight: 358.49768

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC2=CC=CC=C2)NC(=O)CCCN3CCCC3=O

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC2=CC=CC=C2)NC(=O)CCCN3CCCC3=O

InChI

InChI=1S/C21H31N3O2/c25-20(10-5-14-24-15-6-11-21(24)26)22-19-9-4-13-23(17-19)16-12-18-7-2-1-3-8-18/h1-3,7-8,19H,4-6,9-17H2,(H,22,25)/p+1/t19-/m0/s1