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

Systemtic Name: N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-oxidanylidene-3-(2-piperazin-4-ium-1-ylethylamino)prop-1-en-2-yl]furan-2-carboxamide Openeye Name: N-[(Z)-2-(1,3-benzodioxol-5-yl)-1-(2-piperazin-4-ium-1-ylethylcarbamoyl)vinyl]furan-2-carboxamide CAS Name: N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-[2-(1-piperazin-4-iumyl)ethylamino]prop-1-en-2-yl]-2-furancarboxamide IUPAC Name: N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-(2-piperazin-4-ium-1-ylethylamino)prop-1-en-2-yl]furan-2-carboxamide Traditional Name: N-[(Z)-2-(1,3-benzodioxol-5-yl)-1-(2-piperazin-4-ium-1-ylethylcarbamoyl)vinyl]-2-furamide Formula: C21H25N4O5+ MolecularWeight: 413.447

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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=CO4

Isomeric SMILES

C1CN(CC[NH2+]1)CCNC(=O)/C(=C/C2=CC3=C(C=C2)OCO3)/NC(=O)C4=CC=CO4

InChI

InChI=1S/C21H24N4O5/c26-20(23-7-10-25-8-5-22-6-9-25)16(24-21(27)18-2-1-11-28-18)12-15-3-4-17-19(13-15)30-14-29-17/h1-4,11-13,22H,5-10,14H2,(H,23,26)(H,24,27)/p+1/b16-12-