2-ethoxy-4-[[[4-(4-ethoxyphenyl)-3-methyl-1H-imidazol-3-ium-2-yl]amino]methyl]phenol

Systemtic Name: 2-ethoxy-4-[[[4-(4-ethoxyphenyl)-3-methyl-1H-imidazol-3-ium-2-yl]amino]methyl]phenol Openeye Name: 2-ethoxy-4-[[[4-(4-ethoxyphenyl)-3-methyl-1H-imidazol-3-ium-2-yl]amino]methyl]phenol CAS Name: 2-ethoxy-4-[[[4-(4-ethoxyphenyl)-3-methyl-1H-imidazol-3-ium-2-yl]amino]methyl]phenol IUPAC Name: 2-ethoxy-4-[[[4-(4-ethoxyphenyl)-3-methyl-1H-imidazol-3-ium-2-yl]amino]methyl]phenol Traditional Name: 2-ethoxy-4-[[(3-methyl-4-p-phenetyl-1H-imidazol-3-ium-2-yl)amino]methyl]phenol Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CNC(=[N+]2C)NCC3=CC(=C(C=C3)O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CNC(=[N+]2C)NCC3=CC(=C(C=C3)O)OCC

InChI

InChI=1S/C21H25N3O3/c1-4-26-17-9-7-16(8-10-17)18-14-23-21(24(18)3)22-13-15-6-11-19(25)20(12-15)27-5-2/h6-12,14H,4-5,13H2,1-3H3,(H2,22,23,25)/p+1