methyl 2-[(3Z)-3-ethylidene-5-methyl-1,2,4,6,7,12b-hexahydroindolo[2,3-a]quinolizin-5-ium-12-id-2-yl]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[(3Z)-3-ethylidene-5-methyl-1,2,4,6,7,12b-hexahydroindolo[2,3-a]quinolizin-5-ium-12-id-2-yl]-3-oxidanyl-propanoate Openeye Name: methyl 2-[(3Z)-3-ethylidene-5-methyl-1,2,4,6,7,12b-hexahydroindolo[2,3-a]quinolizin-5-ium-12-id-2-yl]-3-hydroxy-propanoate CAS Name: 2-[(3Z)-3-ethylidene-5-methyl-1,2,4,6,7,12b-hexahydroindolo[2,3-a]quinolizin-5-ium-12-id-2-yl]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-[(3Z)-3-ethylidene-5-methyl-1,2,4,6,7,12b-hexahydroindolo[2,3-a]quinolizin-5-ium-12-id-2-yl]-3-hydroxypropanoate Traditional Name: 2-[(3Z)-3-ethylidene-5-methyl-1,2,4,6,7,12b-hexahydropyrido[2,1-a]$b-carbolin-5-ium-12-id-2-yl]-3-hydroxy-propionic acid methyl ester Formula: C22H28N2O3 MolecularWeight: 368.46932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=C1C[N+]2(CCC3=C(C2CC1C(CO)C(=O)OC)[N-]C4=CC=CC=C34)C

Isomeric SMILES

C/C=C/1\C[N+]2(CCC3=C(C2CC1C(CO)C(=O)OC)[N-]C4=CC=CC=C34)C

InChI

InChI=1S/C22H28N2O3/c1-4-14-12-24(2)10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-25)22(26)27-3/h4-8,17-18,20,25H,9-13H2,1-3H3/b14-4+