N-(4-cyanophenyl)-3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(4-cyanophenyl)-3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(4-cyanophenyl)-3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(4-cyanophenyl)-3-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(4-cyanophenyl)-3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(4-cyanophenyl)-3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propionamide Formula: C20H22N5O3+ MolecularWeight: 380.42038

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=CC=C(C=C2)C#N)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=CC=C(C=C2)C#N)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3/c21-15-16-1-3-17(4-2-16)22-20(26)9-10-23-11-13-24(14-12-23)18-5-7-19(8-6-18)25(27)28/h1-8H,9-14H2,(H,22,26)/p+1