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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyethyl)-1H-imidazol-3-ium-2-amine Openeye Name: 4-(1,3-benzodioxol-5-yl)-N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyethyl)-1H-imidazol-3-ium-2-amine CAS Name: 4-(1,3-benzodioxol-5-yl)-N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyethyl)-1H-imidazol-3-ium-2-amine IUPAC Name: 4-(1,3-benzodioxol-5-yl)-N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyethyl)-1H-imidazol-3-ium-2-amine Traditional Name: [4-(1,3-benzodioxol-5-yl)-3-(2-methoxyethyl)-1H-imidazol-3-ium-2-yl]-veratryl-amine Formula: C22H26N3O5+ MolecularWeight: 412.45894

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O5/c1-26-9-8-25-17(16-5-7-19-21(11-16)30-14-29-19)13-24-22(25)23-12-15-4-6-18(27-2)20(10-15)28-3/h4-7,10-11,13H,8-9,12,14H2,1-3H3,(H,23,24)/p+1