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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[(4S)-2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-[(4S)-4-isopentyl-2,2-dimethyl-tetrahydropyran-4-yl]ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-[(4S)-2,2-dimethyl-4-(3-methylbutyl)-4-oxanyl]ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-[(4S)-2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]azanium Traditional Name: 2-[(4S)-4-isoamyl-2,2-dimethyl-tetrahydropyran-4-yl]ethyl-piperonyl-ammonium Formula: C22H36NO3+ MolecularWeight: 362.52614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)CC[C@@]1(CCOC(C1)(C)C)CC[NH2+]CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C22H35NO3/c1-17(2)7-8-22(10-12-26-21(3,4)15-22)9-11-23-14-18-5-6-19-20(13-18)25-16-24-19/h5-6,13,17,23H,7-12,14-16H2,1-4H3/p+1/t22-/m0/s1