2-[[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[(1S)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(1S)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C25H26N3O3S+ MolecularWeight: 448.55724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+]2C(=CC=C1)NC(=CC2=O)CN3CCC4=CC(=C(C=C4C3C5=CC=CS5)OC)OC

Isomeric SMILES

CC1=[N+]2C(=CC=C1)NC(=CC2=O)CN3CCC4=CC(=C(C=C4[C@H]3C5=CC=CS5)OC)OC

InChI

InChI=1S/C25H25N3O3S/c1-16-6-4-8-23-26-18(13-24(29)28(16)23)15-27-10-9-17-12-20(30-2)21(31-3)14-19(17)25(27)22-7-5-11-32-22/h4-8,11-14,25H,9-10,15H2,1-3H3/p+1/t25-/m0/s1