(8aS)-2-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione

Systemtic Name: (8aS)-2-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione Openeye Name: (8aS)-2-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione CAS Name: (8aS)-2-[2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione IUPAC Name: (8aS)-2-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione Traditional Name: (8aS)-2-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-quinone Formula: C20H29N4O3+ MolecularWeight: 373.46926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CCN3C(=O)C4CCCCN4C3=O

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CCN3C(=O)[C@@H]4CCCCN4C3=O

InChI

InChI=1S/C20H28N4O3/c1-27-18-8-3-2-6-16(18)22-13-10-21(11-14-22)12-15-24-19(25)17-7-4-5-9-23(17)20(24)26/h2-3,6,8,17H,4-5,7,9-15H2,1H3/p+1/t17-/m0/s1