N-(3-chlorophenyl)-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-5-nitro-benzamide

Systemtic Name: N-(3-chlorophenyl)-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-5-nitro-benzamide Openeye Name: N-(3-chlorophenyl)-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-5-nitro-benzamide CAS Name: N-(3-chlorophenyl)-2-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-5-nitrobenzamide IUPAC Name: N-(3-chlorophenyl)-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-5-nitrobenzamide Traditional Name: N-(3-chlorophenyl)-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-5-nitro-benzamide Formula: C19H22ClN4O4+ MolecularWeight: 405.85538

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCO)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H21ClN4O4/c20-14-2-1-3-15(12-14)21-19(26)17-13-16(24(27)28)4-5-18(17)23-8-6-22(7-9-23)10-11-25/h1-5,12-13,25H,6-11H2,(H,21,26)/p+1