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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CCC[NH2+]CC2=CC3=C(C=C2)OCO3)C4CCOC(C4)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CCC[NH2+]CC2=CC3=C(C=C2)OCO3)[C@@H]4CCOC(C4)(C)C

InChI

InChI=1S/C26H35NO3/c1-19-6-9-21(10-7-19)23(22-12-14-30-26(2,3)16-22)5-4-13-27-17-20-8-11-24-25(15-20)29-18-28-24/h6-11,15,22-23,27H,4-5,12-14,16-18H2,1-3H3/p+1/t22-,23+/m1/s1