1,3-benzodioxol-5-ylmethyl-[(4R)-4-[(4S)-2,2-dimethyloxan-4-yl]-5-phenyl-pentyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(4R)-4-[(4S)-2,2-dimethyloxan-4-yl]-5-phenyl-pentyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(4R)-4-[(4S)-2,2-dimethyltetrahydropyran-4-yl]-5-phenyl-pentyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(4R)-4-[(4S)-2,2-dimethyl-4-oxanyl]-5-phenylpentyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(4R)-4-[(4S)-2,2-dimethyloxan-4-yl]-5-phenylpentyl]azanium Traditional Name: [(4R)-4-[(4S)-2,2-dimethyltetrahydropyran-4-yl]-5-phenyl-pentyl]-piperonyl-ammonium Formula: C26H36NO3+ MolecularWeight: 410.56894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35NO3/c1-26(2)17-23(12-14-30-26)22(15-20-7-4-3-5-8-20)9-6-13-27-18-21-10-11-24-25(16-21)29-19-28-24/h3-5,7-8,10-11,16,22-23,27H,6,9,12-15,17-19H2,1-2H3/p+1/t22-,23+/m1/s1