N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-oxidanylidene-3-(2-piperazin-4-ium-1-ylethylamino)prop-1-en-2-yl]benzamide

Systemtic Name: N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-oxidanylidene-3-(2-piperazin-4-ium-1-ylethylamino)prop-1-en-2-yl]benzamide Openeye Name: N-[(Z)-2-(1,3-benzodioxol-5-yl)-1-(2-piperazin-4-ium-1-ylethylcarbamoyl)vinyl]benzamide CAS Name: N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-[2-(1-piperazin-4-iumyl)ethylamino]prop-1-en-2-yl]benzamide IUPAC Name: N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-(2-piperazin-4-ium-1-ylethylamino)prop-1-en-2-yl]benzamide Traditional Name: N-[(Z)-2-(1,3-benzodioxol-5-yl)-1-(2-piperazin-4-ium-1-ylethylcarbamoyl)vinyl]benzamide Formula: C23H27N4O4+ MolecularWeight: 423.48488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CCNC(=O)C(=CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH2+]1)CCNC(=O)/C(=C/C2=CC3=C(C=C2)OCO3)/NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O4/c28-22(18-4-2-1-3-5-18)26-19(14-17-6-7-20-21(15-17)31-16-30-20)23(29)25-10-13-27-11-8-24-9-12-27/h1-7,14-15,24H,8-13,16H2,(H,25,29)(H,26,28)/p+1/b19-14-