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

Systemtic Name: 3-[1-(2-phenoxyethanoyl)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-phenoxyacetyl)-4-piperidyl]propanamide CAS Name: 3-[1-(1-oxo-2-phenoxyethyl)-4-piperidinyl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]propanamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[1-(2-phenoxyacetyl)piperidin-4-yl]propanamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[1-(2-phenoxyacetyl)-4-piperidyl]propionamide Formula: C27H36N3O3+ MolecularWeight: 450.59304

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)CCC2CCN(CC2)C(=O)COC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1NC(=O)CCC2CCN(CC2)C(=O)COC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H35N3O3/c31-26(28-24-15-16-29(20-24)19-23-7-3-1-4-8-23)12-11-22-13-17-30(18-14-22)27(32)21-33-25-9-5-2-6-10-25/h1-10,22,24H,11-21H2,(H,28,31)/p+1/t24-/m0/s1