1,3-benzodioxol-5-ylmethyl-[2-[(4S)-2,2-dimethyl-4-oxidanyl-oxan-4-yl]ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[(4S)-2,2-dimethyl-4-oxidanyl-oxan-4-yl]ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-[(4S)-4-hydroxy-2,2-dimethyl-tetrahydropyran-4-yl]ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-[(4S)-4-hydroxy-2,2-dimethyl-4-oxanyl]ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-[(4S)-4-hydroxy-2,2-dimethyloxan-4-yl]ethyl]azanium Traditional Name: 2-[(4S)-4-hydroxy-2,2-dimethyl-tetrahydropyran-4-yl]ethyl-piperonyl-ammonium Formula: C17H26NO4+ MolecularWeight: 308.39264

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)(CC[NH2+]CC2=CC3=C(C=C2)OCO3)O)C

Isomeric SMILES

CC1(C[C@@](CCO1)(CC[NH2+]CC2=CC3=C(C=C2)OCO3)O)C

InChI

InChI=1S/C17H25NO4/c1-16(2)11-17(19,6-8-22-16)5-7-18-10-13-3-4-14-15(9-13)21-12-20-14/h3-4,9,18-19H,5-8,10-12H2,1-2H3/p+1/t17-/m0/s1