3-[1-(2-oxidanylidene-2-phenyl-ethanoyl)piperidin-4-yl]-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]propanamide

Systemtic Name: 3-[1-(2-oxidanylidene-2-phenyl-ethanoyl)piperidin-4-yl]-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]propanamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[1-(2-oxo-2-phenyl-acetyl)-4-piperidyl]propanamide CAS Name: 3-[1-(1,2-dioxo-2-phenylethyl)-4-piperidinyl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]propanamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[1-(2-oxo-2-phenylacetyl)piperidin-4-yl]propanamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[1-(2-keto-2-phenyl-acetyl)-4-piperidyl]propionamide Formula: C27H34N3O3+ MolecularWeight: 448.57716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)CCC2CCN(CC2)C(=O)C(=O)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1NC(=O)CCC2CCN(CC2)C(=O)C(=O)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O3/c31-25(28-24-15-16-29(20-24)19-22-7-3-1-4-8-22)12-11-21-13-17-30(18-14-21)27(33)26(32)23-9-5-2-6-10-23/h1-10,21,24H,11-20H2,(H,28,31)/p+1/t24-/m0/s1