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

Systemtic Name: N-methyl-4-(2-oxidanylidenepyrrolidin-1-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]butanamide Openeye Name: N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]butanamide CAS Name: N-methyl-4-(2-oxo-1-pyrrolidinyl)-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]butanamide IUPAC Name: N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]butanamide Traditional Name: 4-(2-ketopyrrolidino)-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]butyramide Formula: C22H34N3O2+ MolecularWeight: 372.52426

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)CCCN3CCCC3=O

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)CCCN3CCCC3=O

InChI

InChI=1S/C22H33N3O2/c1-23(21(26)11-6-15-25-16-7-12-22(25)27)20-10-5-14-24(18-20)17-13-19-8-3-2-4-9-19/h2-4,8-9,20H,5-7,10-18H2,1H3/p+1/t20-/m0/s1