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

Systemtic Name: N-(3-chlorophenyl)-4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-nitro-benzamide Openeye Name: N-(3-chlorophenyl)-4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-nitro-benzamide CAS Name: N-(3-chlorophenyl)-4-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-3-nitrobenzamide IUPAC Name: N-(3-chlorophenyl)-4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-nitrobenzamide Traditional Name: N-(3-chlorophenyl)-4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-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)C(=O)NC3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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