2-methyl-N-[3-[4-[3-[(2-methylfuran-3-yl)carbonylamino]propyl]piperazin-1-ium-1-yl]propyl]furan-3-carboxamide

Systemtic Name: 2-methyl-N-[3-[4-[3-[(2-methylfuran-3-yl)carbonylamino]propyl]piperazin-1-ium-1-yl]propyl]furan-3-carboxamide Openeye Name: 2-methyl-N-[3-[4-[3-[(2-methylfuran-3-carbonyl)amino]propyl]piperazin-1-ium-1-yl]propyl]furan-3-carboxamide CAS Name: 2-methyl-N-[3-[4-[3-[[(2-methyl-3-furanyl)-oxomethyl]amino]propyl]-1-piperazin-1-iumyl]propyl]-3-furancarboxamide IUPAC Name: 2-methyl-N-[3-[4-[3-[(2-methylfuran-3-carbonyl)amino]propyl]piperazin-1-ium-1-yl]propyl]furan-3-carboxamide Traditional Name: 2-methyl-N-[3-[4-[3-[(2-methyl-3-furoyl)amino]propyl]piperazin-1-ium-1-yl]propyl]-3-furamide Formula: C22H33N4O4+ MolecularWeight: 417.52182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)NCCC[NH+]2CCN(CC2)CCCNC(=O)C3=C(OC=C3)C

Isomeric SMILES

CC1=C(C=CO1)C(=O)NCCC[NH+]2CCN(CC2)CCCNC(=O)C3=C(OC=C3)C

InChI

InChI=1S/C22H32N4O4/c1-17-19(5-15-29-17)21(27)23-7-3-9-25-11-13-26(14-12-25)10-4-8-24-22(28)20-6-16-30-18(20)2/h5-6,15-16H,3-4,7-14H2,1-2H3,(H,23,27)(H,24,28)/p+1