N-[4-[[(2-methyl-2-piperidin-1-ium-1-yl-propyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide

Systemtic Name: N-[4-[[(2-methyl-2-piperidin-1-ium-1-yl-propyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide Openeye Name: N-[4-[[(2-methyl-2-piperidin-1-ium-1-yl-propyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide CAS Name: N-[4-[[[[[2-methyl-2-(1-piperidin-1-iumyl)propyl]amino]-oxomethyl]amino]methyl]phenyl]-2-furancarboxamide IUPAC Name: N-[4-[[(2-methyl-2-piperidin-1-ium-1-ylpropyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide Traditional Name: N-[4-[[(2-methyl-2-piperidin-1-ium-1-yl-propyl)carbamoylamino]methyl]phenyl]-2-furamide Formula: C22H31N4O3+ MolecularWeight: 399.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)NCC1=CC=C(C=C1)NC(=O)C2=CC=CO2)[NH+]3CCCCC3

Isomeric SMILES

CC(C)(CNC(=O)NCC1=CC=C(C=C1)NC(=O)C2=CC=CO2)[NH+]3CCCCC3

InChI

InChI=1S/C22H30N4O3/c1-22(2,26-12-4-3-5-13-26)16-24-21(28)23-15-17-8-10-18(11-9-17)25-20(27)19-7-6-14-29-19/h6-11,14H,3-5,12-13,15-16H2,1-2H3,(H,25,27)(H2,23,24,28)/p+1