1,3-benzodioxol-5-ylmethyl-[(3R)-3-cyclohexyl-3-(4-propan-2-yloxyphenyl)propyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3R)-3-cyclohexyl-3-(4-propan-2-yloxyphenyl)propyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(3R)-3-cyclohexyl-3-(4-isopropoxyphenyl)propyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3R)-3-cyclohexyl-3-(4-propan-2-yloxyphenyl)propyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3R)-3-cyclohexyl-3-(4-propan-2-yloxyphenyl)propyl]azanium Traditional Name: [(3R)-3-cyclohexyl-3-(4-isopropoxyphenyl)propyl]-piperonyl-ammonium Formula: C26H36NO3+ MolecularWeight: 410.56894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(CC[NH2+]CC2=CC3=C(C=C2)OCO3)C4CCCCC4

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)[C@H](CC[NH2+]CC2=CC3=C(C=C2)OCO3)C4CCCCC4

InChI

InChI=1S/C26H35NO3/c1-19(2)30-23-11-9-22(10-12-23)24(21-6-4-3-5-7-21)14-15-27-17-20-8-13-25-26(16-20)29-18-28-25/h8-13,16,19,21,24,27H,3-7,14-15,17-18H2,1-2H3/p+1/t24-/m1/s1