1,3-benzodioxol-5-ylmethyl-[(1S)-1-(4-methyl-2-oxidanyl-phenyl)ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(4-methyl-2-oxidanyl-phenyl)ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(2-hydroxy-4-methyl-phenyl)ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(2-hydroxy-4-methylphenyl)ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(2-hydroxy-4-methylphenyl)ethyl]azanium Traditional Name: [(1S)-1-(2-hydroxy-4-methyl-phenyl)ethyl]-piperonyl-ammonium Formula: C17H20NO3+ MolecularWeight: 286.3456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)[NH2+]CC2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

CC1=CC(=C(C=C1)[C@H](C)[NH2+]CC2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C17H19NO3/c1-11-3-5-14(15(19)7-11)12(2)18-9-13-4-6-16-17(8-13)21-10-20-16/h3-8,12,18-19H,9-10H2,1-2H3/p+1/t12-/m0/s1