methyl-[3-phenyl-1-(phenylcarbonyloxy)-4-(2-propoxyphenyl)butyl]azanium

Systemtic Name: methyl-[3-phenyl-1-(phenylcarbonyloxy)-4-(2-propoxyphenyl)butyl]azanium Openeye Name: [1-benzoyloxy-3-phenyl-4-(2-propoxyphenyl)butyl]-methyl-ammonium CAS Name: [1-benzoyloxy-3-phenyl-4-(2-propoxyphenyl)butyl]-methylammonium IUPAC Name: [1-benzoyloxy-3-phenyl-4-(2-propoxyphenyl)butyl]-methylazanium Traditional Name: [1-benzoyloxy-3-phenyl-4-(2-propoxyphenyl)butyl]-methyl-ammonium Formula: C27H32NO3+ MolecularWeight: 418.54788

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1CC(CC([NH2+]C)OC(=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCOC1=CC=CC=C1CC(CC([NH2+]C)OC(=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H31NO3/c1-3-18-30-25-17-11-10-16-23(25)19-24(21-12-6-4-7-13-21)20-26(28-2)31-27(29)22-14-8-5-9-15-22/h4-17,24,26,28H,3,18-20H2,1-2H3/p+1