1,3-benzodioxol-5-ylmethyl-[2-[(2S,4R)-2-ethyl-2-methyl-4-(3-methylbutyl)oxan-4-yl]ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[(2S,4R)-2-ethyl-2-methyl-4-(3-methylbutyl)oxan-4-yl]ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-[(2S,4R)-2-ethyl-4-isopentyl-2-methyl-tetrahydropyran-4-yl]ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-[(2S,4R)-2-ethyl-2-methyl-4-(3-methylbutyl)-4-oxanyl]ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-[(2S,4R)-2-ethyl-2-methyl-4-(3-methylbutyl)oxan-4-yl]ethyl]azanium Traditional Name: 2-[(2S,4R)-2-ethyl-4-isoamyl-2-methyl-tetrahydropyran-4-yl]ethyl-piperonyl-ammonium Formula: C23H38NO3+ MolecularWeight: 376.55272

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(CCO1)(CCC(C)C)CC[NH2+]CC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC[C@]1(C[C@](CCO1)(CCC(C)C)CC[NH2+]CC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C23H37NO3/c1-5-22(4)16-23(11-13-27-22,9-8-18(2)3)10-12-24-15-19-6-7-20-21(14-19)26-17-25-20/h6-7,14,18,24H,5,8-13,15-17H2,1-4H3/p+1/t22-,23+/m0/s1