2,4-bis(chloranyl)-N-[(Z)-3-oxidanylidene-1-phenyl-3-(2-piperazin-4-ium-1-ylethylamino)prop-1-en-2-yl]benzamide

Systemtic Name: 2,4-bis(chloranyl)-N-[(Z)-3-oxidanylidene-1-phenyl-3-(2-piperazin-4-ium-1-ylethylamino)prop-1-en-2-yl]benzamide Openeye Name: 2,4-dichloro-N-[(Z)-2-phenyl-1-(2-piperazin-4-ium-1-ylethylcarbamoyl)vinyl]benzamide CAS Name: 2,4-dichloro-N-[(Z)-3-oxo-1-phenyl-3-[2-(1-piperazin-4-iumyl)ethylamino]prop-1-en-2-yl]benzamide IUPAC Name: 2,4-dichloro-N-[(Z)-3-oxo-1-phenyl-3-(2-piperazin-4-ium-1-ylethylamino)prop-1-en-2-yl]benzamide Traditional Name: 2,4-dichloro-N-[(Z)-2-phenyl-1-(2-piperazin-4-ium-1-ylethylcarbamoyl)vinyl]benzamide Formula: C22H25Cl2N4O2+ MolecularWeight: 448.3655

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CCNC(=O)C(=CC2=CC=CC=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(CC[NH2+]1)CCNC(=O)/C(=C/C2=CC=CC=C2)/NC(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H24Cl2N4O2/c23-17-6-7-18(19(24)15-17)21(29)27-20(14-16-4-2-1-3-5-16)22(30)26-10-13-28-11-8-25-9-12-28/h1-7,14-15,25H,8-13H2,(H,26,30)(H,27,29)/p+1/b20-14-