1,3-benzodioxol-5-ylmethyl-[(3R)-6-methyl-3-(4-propan-2-yloxyphenyl)heptyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3R)-6-methyl-3-(4-propan-2-yloxyphenyl)heptyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(3R)-3-(4-isopropoxyphenyl)-6-methyl-heptyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3R)-6-methyl-3-(4-propan-2-yloxyphenyl)heptyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3R)-6-methyl-3-(4-propan-2-yloxyphenyl)heptyl]azanium Traditional Name: [(3R)-3-(4-isopropoxyphenyl)-6-methyl-heptyl]-piperonyl-ammonium Formula: C25H36NO3+ MolecularWeight: 398.55824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CC[NH2+]CC1=CC2=C(C=C1)OCO2)C3=CC=C(C=C3)OC(C)C

Isomeric SMILES

CC(C)CC[C@H](CC[NH2+]CC1=CC2=C(C=C1)OCO2)C3=CC=C(C=C3)OC(C)C

InChI

InChI=1S/C25H35NO3/c1-18(2)5-7-22(21-8-10-23(11-9-21)29-19(3)4)13-14-26-16-20-6-12-24-25(15-20)28-17-27-24/h6,8-12,15,18-19,22,26H,5,7,13-14,16-17H2,1-4H3/p+1/t22-/m1/s1