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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-3-[(4R)-2,2-dimethyloxan-4-yl]-4-phenyl-butyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-3-[(4R)-2,2-dimethyltetrahydropyran-4-yl]-4-phenyl-butyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-3-[(4R)-2,2-dimethyl-4-oxanyl]-4-phenylbutyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-3-[(4R)-2,2-dimethyloxan-4-yl]-4-phenylbutyl]azanium Traditional Name: [(3S)-3-[(4R)-2,2-dimethyltetrahydropyran-4-yl]-4-phenyl-butyl]-piperonyl-ammonium Formula: C25H34NO3+ MolecularWeight: 396.54236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33NO3/c1-25(2)16-22(11-13-29-25)21(14-19-6-4-3-5-7-19)10-12-26-17-20-8-9-23-24(15-20)28-18-27-23/h3-9,15,21-22,26H,10-14,16-18H2,1-2H3/p+1/t21-,22-/m1/s1