1,3-benzodioxol-5-ylmethyl-[(3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]azanium Traditional Name: [(3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-piperonyl-ammonium Formula: C24H25FNO3+ MolecularWeight: 394.458603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC[NH2+]CC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CC[NH2+]CC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H24FNO3/c1-27-21-9-5-19(6-10-21)22(18-3-7-20(25)8-4-18)12-13-26-15-17-2-11-23-24(14-17)29-16-28-23/h2-11,14,22,26H,12-13,15-16H2,1H3/p+1/t22-/m1/s1