1-[4-(3-methylbutoxy)phenyl]-2-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-one chloride

Systemtic Name: 1-[4-(3-methylbutoxy)phenyl]-2-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-one chloride Openeye Name: 1-(4-isopentyloxyphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-one chloride CAS Name: 1-[4-(3-methylbutoxy)phenyl]-2-phenyl-3-(1-pyrrolidin-1-iumyl)-1-propanone chloride IUPAC Name: 1-[4-(3-methylbutoxy)phenyl]-2-phenyl-3-pyrrolidin-1-ium-1-ylpropan-1-one chloride Traditional Name: 1-(4-isoamoxyphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-one chloride Formula: C24H32ClNO2 MolecularWeight: 401.96938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)C(C[NH+]2CCCC2)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)C(C[NH+]2CCCC2)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C24H31NO2.ClH/c1-19(2)14-17-27-22-12-10-21(11-13-22)24(26)23(18-25-15-6-7-16-25)20-8-4-3-5-9-20;/h3-5,8-13,19,23H,6-7,14-18H2,1-2H3;1H