2-azanyl-3-phenyl-1-[2-(2-pyridin-1-ium-1-ylethanoyl)pyrrolidin-1-yl]propan-1-one chloride

Systemtic Name: 2-azanyl-3-phenyl-1-[2-(2-pyridin-1-ium-1-ylethanoyl)pyrrolidin-1-yl]propan-1-one chloride Openeye Name: 2-amino-3-phenyl-1-[2-(2-pyridin-1-ium-1-ylacetyl)pyrrolidin-1-yl]propan-1-one chloride CAS Name: 2-amino-1-[2-[1-oxo-2-(1-pyridin-1-iumyl)ethyl]-1-pyrrolidinyl]-3-phenyl-1-propanone chloride IUPAC Name: 2-amino-3-phenyl-1-[2-(2-pyridin-1-ium-1-ylacetyl)pyrrolidin-1-yl]propan-1-one chloride Traditional Name: 2-amino-3-phenyl-1-[2-(2-pyridin-1-ium-1-ylacetyl)pyrrolidino]propan-1-one chloride Formula: C20H24ClN3O2 MolecularWeight: 373.87646

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)N)C(=O)C[N+]3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)N)C(=O)C[N+]3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C20H24N3O2.ClH/c21-17(14-16-8-3-1-4-9-16)20(25)23-13-7-10-18(23)19(24)15-22-11-5-2-6-12-22;/h1-6,8-9,11-12,17-18H,7,10,13-15,21H2;1H/q+1;/p-1