(3S,4aR,8aS)-3-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-4-ium-2-one

Systemtic Name: (3S,4aR,8aS)-3-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-4-ium-2-one Openeye Name: (3S,4aR,8aS)-3-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-4-ium-2-one CAS Name: (3S,4aR,8aS)-3-[2-[4-(4-chlorophenyl)-1-piperazinyl]-2-oxoethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-4-ium-2-one IUPAC Name: (3S,4aR,8aS)-3-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-4-ium-2-one Traditional Name: (3S,4aR,8aS)-3-[2-[4-(4-chlorophenyl)piperazino]-2-keto-ethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-4-ium-2-one Formula: C20H28ClN4O2+ MolecularWeight: 391.91492

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)[NH2+]C(C(=O)N2)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC[C@H]2[C@@H](C1)[NH2+][C@H](C(=O)N2)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H27ClN4O2/c21-14-5-7-15(8-6-14)24-9-11-25(12-10-24)19(26)13-18-20(27)23-17-4-2-1-3-16(17)22-18/h5-8,16-18,22H,1-4,9-13H2,(H,23,27)/p+1/t16-,17+,18+/m1/s1