3,4-dihydro-2H-quinolin-1-yl-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-5-nitro-phenyl]methanone

Systemtic Name: 3,4-dihydro-2H-quinolin-1-yl-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-5-nitro-phenyl]methanone Openeye Name: 3,4-dihydro-2H-quinolin-1-yl-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-5-nitro-phenyl]methanone CAS Name: 3,4-dihydro-2H-quinolin-1-yl-[2-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-5-nitrophenyl]methanone IUPAC Name: 3,4-dihydro-2H-quinolin-1-yl-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-5-nitrophenyl]methanone Traditional Name: 3,4-dihydro-2H-quinolin-1-yl-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-5-nitro-phenyl]methanone Formula: C22H27N4O4+ MolecularWeight: 411.47418

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CC[NH+](CC4)CCO

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CC[NH+](CC4)CCO

InChI

InChI=1S/C22H26N4O4/c27-15-14-23-10-12-24(13-11-23)21-8-7-18(26(29)30)16-19(21)22(28)25-9-3-5-17-4-1-2-6-20(17)25/h1-2,4,6-8,16,27H,3,5,9-15H2/p+1