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

Systemtic Name: N-ethyl-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-5-nitro-N-phenyl-benzamide Openeye Name: N-ethyl-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-5-nitro-N-phenyl-benzamide CAS Name: N-ethyl-2-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-5-nitro-N-phenylbenzamide IUPAC Name: N-ethyl-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-5-nitro-N-phenylbenzamide Traditional Name: N-ethyl-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-5-nitro-N-phenyl-benzamide Formula: C21H27N4O4+ MolecularWeight: 399.46348

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CC[NH+](CC3)CCO

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CC[NH+](CC3)CCO

InChI

InChI=1S/C21H26N4O4/c1-2-24(17-6-4-3-5-7-17)21(27)19-16-18(25(28)29)8-9-20(19)23-12-10-22(11-13-23)14-15-26/h3-9,16,26H,2,10-15H2,1H3/p+1