4-[[[4-(1,3-benzodioxol-5-yl)-3-(2-methoxyethyl)-1H-imidazol-3-ium-2-yl]amino]methyl]phenol

Systemtic Name: 4-[[[4-(1,3-benzodioxol-5-yl)-3-(2-methoxyethyl)-1H-imidazol-3-ium-2-yl]amino]methyl]phenol Openeye Name: 4-[[[4-(1,3-benzodioxol-5-yl)-3-(2-methoxyethyl)-1H-imidazol-3-ium-2-yl]amino]methyl]phenol CAS Name: 4-[[[4-(1,3-benzodioxol-5-yl)-3-(2-methoxyethyl)-1H-imidazol-3-ium-2-yl]amino]methyl]phenol IUPAC Name: 4-[[[4-(1,3-benzodioxol-5-yl)-3-(2-methoxyethyl)-1H-imidazol-3-ium-2-yl]amino]methyl]phenol Traditional Name: 4-[[[4-(1,3-benzodioxol-5-yl)-3-(2-methoxyethyl)-1H-imidazol-3-ium-2-yl]amino]methyl]phenol Formula: C20H22N3O4+ MolecularWeight: 368.40638

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Descriptors Computed from Structure

Canonical SMILES:

COCC[N+]1=C(NC=C1C2=CC3=C(C=C2)OCO3)NCC4=CC=C(C=C4)O

Isomeric SMILES

COCC[N+]1=C(NC=C1C2=CC3=C(C=C2)OCO3)NCC4=CC=C(C=C4)O

InChI

InChI=1S/C20H21N3O4/c1-25-9-8-23-17(15-4-7-18-19(10-15)27-13-26-18)12-22-20(23)21-11-14-2-5-16(24)6-3-14/h2-7,10,12H,8-9,11,13H2,1H3,(H2,21,22,24)/p+1