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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[(4S)-2,2-dimethyl-4-(phenylmethyl)oxan-4-yl]ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-[(4S)-4-benzyl-2,2-dimethyl-tetrahydropyran-4-yl]ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-[(4S)-2,2-dimethyl-4-(phenylmethyl)-4-oxanyl]ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-[(4S)-4-benzyl-2,2-dimethyloxan-4-yl]ethyl]azanium Traditional Name: 2-[(4S)-4-benzyl-2,2-dimethyl-tetrahydropyran-4-yl]ethyl-piperonyl-ammonium Formula: C24H32NO3+ MolecularWeight: 382.51578

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)(CC[NH2+]CC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1(C[C@](CCO1)(CC[NH2+]CC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4)C

InChI

InChI=1S/C24H31NO3/c1-23(2)17-24(11-13-28-23,15-19-6-4-3-5-7-19)10-12-25-16-20-8-9-21-22(14-20)27-18-26-21/h3-9,14,25H,10-13,15-18H2,1-2H3/p+1/t24-/m0/s1