2-(3,4-dimethoxyphenyl)-3-(piperidin-1-ium-1-ylmethyl)imidazo[2,1-a]isoquinoline

Systemtic Name: 2-(3,4-dimethoxyphenyl)-3-(piperidin-1-ium-1-ylmethyl)imidazo[2,1-a]isoquinoline Openeye Name: 2-(3,4-dimethoxyphenyl)-3-(piperidin-1-ium-1-ylmethyl)imidazo[2,1-a]isoquinoline CAS Name: 2-(3,4-dimethoxyphenyl)-3-(1-piperidin-1-iumylmethyl)imidazo[2,1-a]isoquinoline IUPAC Name: 2-(3,4-dimethoxyphenyl)-3-(piperidin-1-ium-1-ylmethyl)imidazo[2,1-a]isoquinoline Traditional Name: 2-(3,4-dimethoxyphenyl)-3-(piperidin-1-ium-1-ylmethyl)imidaz[2,1-a]isoquinoline Formula: C25H28N3O2+ MolecularWeight: 402.50872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(N3C=CC4=CC=CC=C4C3=N2)C[NH+]5CCCCC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(N3C=CC4=CC=CC=C4C3=N2)C[NH+]5CCCCC5)OC

InChI

InChI=1S/C25H27N3O2/c1-29-22-11-10-19(16-23(22)30-2)24-21(17-27-13-6-3-7-14-27)28-15-12-18-8-4-5-9-20(18)25(28)26-24/h4-5,8-12,15-16H,3,6-7,13-14,17H2,1-2H3/p+1