(6-azanyl-4H-1,3-benzodioxin-8-yl)methyl-methyl-(phenylmethyl)azanium

Systemtic Name: (6-azanyl-4H-1,3-benzodioxin-8-yl)methyl-methyl-(phenylmethyl)azanium Openeye Name: (6-amino-4H-1,3-benzodioxin-8-yl)methyl-benzyl-methyl-ammonium CAS Name: (6-amino-4H-1,3-benzodioxin-8-yl)methyl-methyl-(phenylmethyl)ammonium IUPAC Name: (6-amino-4H-1,3-benzodioxin-8-yl)methyl-benzyl-methylazanium Traditional Name: (6-amino-4H-1,3-benzodioxin-8-yl)methyl-benzyl-methyl-ammonium Formula: C17H21N2O2+ MolecularWeight: 285.36084

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC2=C3C(=CC(=C2)N)COCO3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC2=C3C(=CC(=C2)N)COCO3

InChI

InChI=1S/C17H20N2O2/c1-19(9-13-5-3-2-4-6-13)10-14-7-16(18)8-15-11-20-12-21-17(14)15/h2-8H,9-12,18H2,1H3/p+1