N-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbonylphenyl]-3-nitro-benzamide

Systemtic Name: N-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbonylphenyl]-3-nitro-benzamide Openeye Name: N-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]phenyl]-3-nitro-benzamide CAS Name: N-[2-[[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl]-3-nitrobenzamide IUPAC Name: N-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]phenyl]-3-nitrobenzamide Traditional Name: N-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]phenyl]-3-nitro-benzamide Formula: C20H23N4O5+ MolecularWeight: 399.42042

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C(=O)C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCO)C(=O)C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O5/c25-13-12-22-8-10-23(11-9-22)20(27)17-6-1-2-7-18(17)21-19(26)15-4-3-5-16(14-15)24(28)29/h1-7,14,25H,8-13H2,(H,21,26)/p+1