1,3-benzodioxol-5-ylmethyl-[(2S)-2-oxidanylpropyl]-(quinolin-8-ylmethyl)azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-2-oxidanylpropyl]-(quinolin-8-ylmethyl)azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-2-hydroxypropyl]-(8-quinolylmethyl)ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-2-hydroxypropyl]-(8-quinolinylmethyl)ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-2-hydroxypropyl]-(quinolin-8-ylmethyl)azanium Traditional Name: [(2S)-2-hydroxypropyl]-piperonyl-(8-quinolylmethyl)ammonium Formula: C21H23N2O3+ MolecularWeight: 351.41892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+](CC1=CC2=C(C=C1)OCO2)CC3=CC=CC4=C3N=CC=C4)O

Isomeric SMILES

C[C@@H](C[NH+](CC1=CC2=C(C=C1)OCO2)CC3=CC=CC4=C3N=CC=C4)O

InChI

InChI=1S/C21H22N2O3/c1-15(24)11-23(12-16-7-8-19-20(10-16)26-14-25-19)13-18-5-2-4-17-6-3-9-22-21(17)18/h2-10,15,24H,11-14H2,1H3/p+1/t15-/m0/s1