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

Systemtic Name: 2-chloranyl-N-[(Z)-3-oxidanylidene-1-phenyl-3-(2-piperazin-4-ium-1-ylethylamino)prop-1-en-2-yl]benzamide Openeye Name: 2-chloro-N-[(Z)-2-phenyl-1-(2-piperazin-4-ium-1-ylethylcarbamoyl)vinyl]benzamide CAS Name: 2-chloro-N-[(Z)-3-oxo-1-phenyl-3-[2-(1-piperazin-4-iumyl)ethylamino]prop-1-en-2-yl]benzamide IUPAC Name: 2-chloro-N-[(Z)-3-oxo-1-phenyl-3-(2-piperazin-4-ium-1-ylethylamino)prop-1-en-2-yl]benzamide Traditional Name: 2-chloro-N-[(Z)-2-phenyl-1-(2-piperazin-4-ium-1-ylethylcarbamoyl)vinyl]benzamide Formula: C22H26ClN4O2+ MolecularWeight: 413.92044

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CCNC(=O)C(=CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C1CN(CC[NH2+]1)CCNC(=O)/C(=C/C2=CC=CC=C2)/NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H25ClN4O2/c23-19-9-5-4-8-18(19)21(28)26-20(16-17-6-2-1-3-7-17)22(29)25-12-15-27-13-10-24-11-14-27/h1-9,16,24H,10-15H2,(H,25,29)(H,26,28)/p+1/b20-16-