1,3-benzodioxol-5-ylmethyl-[(3S)-3-(furan-2-yl)-3-phenyl-propyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-3-(furan-2-yl)-3-phenyl-propyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-3-(2-furyl)-3-phenyl-propyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-3-(2-furanyl)-3-phenylpropyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-3-(furan-2-yl)-3-phenylpropyl]azanium Traditional Name: [(3S)-3-(2-furyl)-3-phenyl-propyl]-piperonyl-ammonium Formula: C21H22NO3+ MolecularWeight: 336.40428

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[NH2+]CCC(C3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[NH2+]CC[C@@H](C3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C21H21NO3/c1-2-5-17(6-3-1)18(19-7-4-12-23-19)10-11-22-14-16-8-9-20-21(13-16)25-15-24-20/h1-9,12-13,18,22H,10-11,14-15H2/p+1/t18-/m0/s1