1,3-benzodioxol-5-ylmethyl-[2-[(2R,4R)-4-(2-methoxyphenyl)-2-propan-2-yl-oxan-4-yl]ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[(2R,4R)-4-(2-methoxyphenyl)-2-propan-2-yl-oxan-4-yl]ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-[(2R,4R)-2-isopropyl-4-(2-methoxyphenyl)tetrahydropyran-4-yl]ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-[(2R,4R)-4-(2-methoxyphenyl)-2-propan-2-yl-4-oxanyl]ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-[(2R,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]azanium Traditional Name: 2-[(2R,4R)-2-isopropyl-4-(2-methoxyphenyl)tetrahydropyran-4-yl]ethyl-piperonyl-ammonium Formula: C25H34NO4+ MolecularWeight: 412.54176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CC(CCO1)(CC[NH2+]CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4OC

Isomeric SMILES

CC(C)[C@H]1C[C@](CCO1)(CC[NH2+]CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4OC

InChI

InChI=1S/C25H33NO4/c1-18(2)24-15-25(11-13-28-24,20-6-4-5-7-21(20)27-3)10-12-26-16-19-8-9-22-23(14-19)30-17-29-22/h4-9,14,18,24,26H,10-13,15-17H2,1-3H3/p+1/t24-,25-/m1/s1