1,3-benzodioxol-5-ylmethyl-[(2R)-4-phenylbutan-2-yl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-4-phenylbutan-2-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1R)-1-methyl-3-phenyl-propyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-4-phenylbutan-2-yl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-4-phenylbutan-2-yl]azanium Traditional Name: [(1R)-1-methyl-3-phenyl-propyl]-piperonyl-ammonium Formula: C18H22NO2+ MolecularWeight: 284.37278

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)[NH2+]CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)[NH2+]CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H21NO2/c1-14(7-8-15-5-3-2-4-6-15)19-12-16-9-10-17-18(11-16)21-13-20-17/h2-6,9-11,14,19H,7-8,12-13H2,1H3/p+1/t14-/m1/s1