[(2R)-3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]-methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: [(2R)-3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]-methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: [(2R)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxy-propyl]-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: [(2R)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: [(2R)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: [(2R)-2-hydroxy-3-piperonyloxy-propyl]-[(4-keto-1H-quinazolin-2-yl)methyl]-methyl-ammonium Formula: C21H24N3O5+ MolecularWeight: 398.43236

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(COCC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

C[NH+](CC1=NC(=O)C2=CC=CC=C2N1)C[C@H](COCC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C21H23N3O5/c1-24(10-20-22-17-5-3-2-4-16(17)21(26)23-20)9-15(25)12-27-11-14-6-7-18-19(8-14)29-13-28-18/h2-8,15,25H,9-13H2,1H3,(H,22,23,26)/p+1/t15-/m1/s1