1,3-benzodioxol-5-ylmethyl-(3-phenylpropyl)-(pyridin-4-ylmethyl)azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-(3-phenylpropyl)-(pyridin-4-ylmethyl)azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-(3-phenylpropyl)-(4-pyridylmethyl)ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-(3-phenylpropyl)-(pyridin-4-ylmethyl)ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-(3-phenylpropyl)-(pyridin-4-ylmethyl)azanium Traditional Name: 3-phenylpropyl-piperonyl-(4-pyridylmethyl)ammonium Formula: C23H25N2O2+ MolecularWeight: 361.4568

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[NH+](CCCC3=CC=CC=C3)CC4=CC=NC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[NH+](CCCC3=CC=CC=C3)CC4=CC=NC=C4

InChI

InChI=1S/C23H24N2O2/c1-2-5-19(6-3-1)7-4-14-25(16-20-10-12-24-13-11-20)17-21-8-9-22-23(15-21)27-18-26-22/h1-3,5-6,8-13,15H,4,7,14,16-18H2/p+1