4-(1,3-benzodioxol-5-yl)-3-(2-methoxyethyl)-N-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-1H-imidazol-3-ium-2-amine

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-3-(2-methoxyethyl)-N-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-1H-imidazol-3-ium-2-amine Openeye Name: 4-(1,3-benzodioxol-5-yl)-N-[(3-benzyloxy-4-methoxy-phenyl)methyl]-3-(2-methoxyethyl)-1H-imidazol-3-ium-2-amine CAS Name: 4-(1,3-benzodioxol-5-yl)-3-(2-methoxyethyl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1H-imidazol-3-ium-2-amine IUPAC Name: 4-(1,3-benzodioxol-5-yl)-3-(2-methoxyethyl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1H-imidazol-3-ium-2-amine Traditional Name: [4-(1,3-benzodioxol-5-yl)-3-(2-methoxyethyl)-1H-imidazol-3-ium-2-yl]-(3-benzoxy-4-methoxy-benzyl)amine Formula: C28H30N3O5+ MolecularWeight: 488.5549

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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)OC)OCC5=CC=CC=C5

Isomeric SMILES

COCC[N+]1=C(NC=C1C2=CC3=C(C=C2)OCO3)NCC4=CC(=C(C=C4)OC)OCC5=CC=CC=C5

InChI

InChI=1S/C28H29N3O5/c1-32-13-12-31-23(22-9-11-25-27(15-22)36-19-35-25)17-30-28(31)29-16-21-8-10-24(33-2)26(14-21)34-18-20-6-4-3-5-7-20/h3-11,14-15,17H,12-13,16,18-19H2,1-2H3,(H,29,30)/p+1