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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[(2S,4R)-4-(phenylmethyl)-2-propan-2-yl-oxan-4-yl]ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-[(2S,4R)-4-benzyl-2-isopropyl-tetrahydropyran-4-yl]ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-[(2S,4R)-4-(phenylmethyl)-2-propan-2-yl-4-oxanyl]ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-[(2S,4R)-4-benzyl-2-propan-2-yloxan-4-yl]ethyl]azanium Traditional Name: 2-[(2S,4R)-4-benzyl-2-isopropyl-tetrahydropyran-4-yl]ethyl-piperonyl-ammonium Formula: C25H34NO3+ MolecularWeight: 396.54236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CC(CCO1)(CC[NH2+]CC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)[C@@H]1C[C@@](CCO1)(CC[NH2+]CC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

InChI

InChI=1S/C25H33NO3/c1-19(2)24-16-25(11-13-27-24,15-20-6-4-3-5-7-20)10-12-26-17-21-8-9-22-23(14-21)29-18-28-22/h3-9,14,19,24,26H,10-13,15-18H2,1-2H3/p+1/t24-,25+/m0/s1