2-[4-[3-[4-(2-methylquinolin-4-yl)piperazin-1-yl]-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-[3-[4-(2-methylquinolin-4-yl)piperazin-1-yl]-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[3-[4-(2-methyl-4-quinolyl)piperazin-1-yl]-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[3-[4-(2-methyl-4-quinolinyl)-1-piperazinyl]-4-nitrophenyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-[3-[4-(2-methylquinolin-4-yl)piperazin-1-yl]-4-nitrophenyl]piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-[3-[4-(2-methyl-4-quinolyl)piperazino]-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol Formula: C26H33N6O3+ MolecularWeight: 477.57862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)N3CCN(CC3)C4=C(C=CC(=C4)N5CC[NH+](CC5)CCO)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)N3CCN(CC3)C4=C(C=CC(=C4)N5CC[NH+](CC5)CCO)[N+](=O)[O-]

InChI

InChI=1S/C26H32N6O3/c1-20-18-25(22-4-2-3-5-23(22)27-20)30-12-14-31(15-13-30)26-19-21(6-7-24(26)32(34)35)29-10-8-28(9-11-29)16-17-33/h2-7,18-19,33H,8-17H2,1H3/p+1