dimethyl-[1-(2-methylpropanoyloxy)-3-phenyl-1-(3-propoxyphenyl)butyl]azanium

Systemtic Name: dimethyl-[1-(2-methylpropanoyloxy)-3-phenyl-1-(3-propoxyphenyl)butyl]azanium Openeye Name: dimethyl-[1-(2-methylpropanoyloxy)-3-phenyl-1-(3-propoxyphenyl)butyl]ammonium CAS Name: dimethyl-[1-(2-methyl-1-oxopropoxy)-3-phenyl-1-(3-propoxyphenyl)butyl]ammonium IUPAC Name: dimethyl-[1-(2-methylpropanoyloxy)-3-phenyl-1-(3-propoxyphenyl)butyl]azanium Traditional Name: [1-isobutyryloxy-3-phenyl-1-(3-propoxyphenyl)butyl]-dimethyl-ammonium Formula: C25H36NO3+ MolecularWeight: 398.55824

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(CC(C)C2=CC=CC=C2)([NH+](C)C)OC(=O)C(C)C

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(CC(C)C2=CC=CC=C2)([NH+](C)C)OC(=O)C(C)C

InChI

InChI=1S/C25H35NO3/c1-7-16-28-23-15-11-14-22(17-23)25(26(5)6,29-24(27)19(2)3)18-20(4)21-12-9-8-10-13-21/h8-15,17,19-20H,7,16,18H2,1-6H3/p+1