[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-phenyl-methanone chloride

Systemtic Name: [4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-phenyl-methanone chloride Openeye Name: [4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-phenyl-methanone chloride CAS Name: [4-methoxy-3-(1-pyrrolidin-1-iumylmethyl)phenyl]-phenylmethanone chloride IUPAC Name: [4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-phenylmethanone chloride Traditional Name: [4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-phenyl-methanone chloride Formula: C19H22ClNO2 MolecularWeight: 331.83648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)C[NH+]3CCCC3.[Cl-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)C[NH+]3CCCC3.[Cl-]

InChI

InChI=1S/C19H21NO2.ClH/c1-22-18-10-9-16(19(21)15-7-3-2-4-8-15)13-17(18)14-20-11-5-6-12-20;/h2-4,7-10,13H,5-6,11-12,14H2,1H3;1H