N-[[3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[[3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[[3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[[3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]phenyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[[3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]benzyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C21H22N3O3+ MolecularWeight: 364.41768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1)CC2=CC(=CC=C2)CNC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=[N+](C=CN1)CC2=CC(=CC=C2)CNC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H21N3O3/c1-15-22-7-8-24(15)14-17-4-2-3-16(11-17)13-23-21(25)18-5-6-19-20(12-18)27-10-9-26-19/h2-8,11-12H,9-10,13-14H2,1H3,(H,23,25)/p+1