2-[(2-methylphenyl)methyl]-6-[(2S)-2-oxidanylhex-5-enyl]-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-6-ium-4-one

Systemtic Name: 2-[(2-methylphenyl)methyl]-6-[(2S)-2-oxidanylhex-5-enyl]-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-6-ium-4-one Openeye Name: 6-[(2S)-2-hydroxyhex-5-enyl]-2-(o-tolylmethyl)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-6-ium-4-one CAS Name: 6-[(2S)-2-hydroxyhex-5-enyl]-2-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-6-ium-4-one IUPAC Name: 6-[(2S)-2-hydroxyhex-5-enyl]-2-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-6-ium-4-one Traditional Name: 6-[(2S)-2-hydroxyhex-5-enyl]-2-(2-methylbenzyl)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-6-ium-4-one Formula: C21H28N3O2+ MolecularWeight: 354.46592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC2=NC(=O)C3=C(N2)CC[NH+](C3)CC(CCC=C)O

Isomeric SMILES

CC1=CC=CC=C1CC2=NC(=O)C3=C(N2)CC[NH+](C3)C[C@H](CCC=C)O

InChI

InChI=1S/C21H27N3O2/c1-3-4-9-17(25)13-24-11-10-19-18(14-24)21(26)23-20(22-19)12-16-8-6-5-7-15(16)2/h3,5-8,17,25H,1,4,9-14H2,2H3,(H,22,23,26)/p+1/t17-/m0/s1