[4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-nitro-phenyl]-phenyl-methanone

Systemtic Name: [4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-nitro-phenyl]-phenyl-methanone Openeye Name: [4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-nitro-phenyl]-phenyl-methanone CAS Name: [4-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-3-nitrophenyl]-phenylmethanone IUPAC Name: [4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-nitrophenyl]-phenylmethanone Traditional Name: [4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-nitro-phenyl]-phenyl-methanone Formula: C19H22N3O4+ MolecularWeight: 356.39568

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCO)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O4/c23-13-12-20-8-10-21(11-9-20)17-7-6-16(14-18(17)22(25)26)19(24)15-4-2-1-3-5-15/h1-7,14,23H,8-13H2/p+1