5-azanyl-7-(4-methoxy-3-phenylmethoxy-phenyl)-2-methyl-1,7-dihydropyrano[2,3-d]imidazol-3-ium-6-carbonitrile

Systemtic Name: 5-azanyl-7-(4-methoxy-3-phenylmethoxy-phenyl)-2-methyl-1,7-dihydropyrano[2,3-d]imidazol-3-ium-6-carbonitrile Openeye Name: 5-amino-7-(3-benzyloxy-4-methoxy-phenyl)-2-methyl-1,7-dihydropyrano[2,3-d]imidazol-3-ium-6-carbonitrile CAS Name: 5-amino-7-(4-methoxy-3-phenylmethoxyphenyl)-2-methyl-1,7-dihydropyrano[2,3-d]imidazol-3-ium-6-carbonitrile IUPAC Name: 5-amino-7-(4-methoxy-3-phenylmethoxyphenyl)-2-methyl-1,7-dihydropyrano[2,3-d]imidazol-3-ium-6-carbonitrile Traditional Name: 5-amino-7-(3-benzoxy-4-methoxy-phenyl)-2-methyl-1,7-dihydropyran[2,3-d]imidazol-3-ium-6-carbonitrile Formula: C22H21N4O3+ MolecularWeight: 389.42714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=C(N1)C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)OC)OCC4=CC=CC=C4

Isomeric SMILES

CC1=[NH+]C2=C(N1)C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)OC)OCC4=CC=CC=C4

InChI

InChI=1S/C22H20N4O3/c1-13-25-20-19(16(11-23)21(24)29-22(20)26-13)15-8-9-17(27-2)18(10-15)28-12-14-6-4-3-5-7-14/h3-10,19H,12,24H2,1-2H3,(H,25,26)/p+1