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

Systemtic Name: N-[4-[[(1-propan-2-ylpiperidin-1-ium-4-yl)carbamoylamino]methyl]phenyl]furan-2-carboxamide Openeye Name: N-[4-[[(1-isopropylpiperidin-1-ium-4-yl)carbamoylamino]methyl]phenyl]furan-2-carboxamide CAS Name: N-[4-[[[oxo-[(1-propan-2-yl-4-piperidin-1-iumyl)amino]methyl]amino]methyl]phenyl]-2-furancarboxamide IUPAC Name: N-[4-[[(1-propan-2-ylpiperidin-1-ium-4-yl)carbamoylamino]methyl]phenyl]furan-2-carboxamide Traditional Name: N-[4-[[(1-isopropylpiperidin-1-ium-4-yl)carbamoylamino]methyl]phenyl]-2-furamide Formula: C21H29N4O3+ MolecularWeight: 385.47996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)NC(=O)NCC2=CC=C(C=C2)NC(=O)C3=CC=CO3

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)NC(=O)NCC2=CC=C(C=C2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H28N4O3/c1-15(2)25-11-9-18(10-12-25)24-21(27)22-14-16-5-7-17(8-6-16)23-20(26)19-4-3-13-28-19/h3-8,13,15,18H,9-12,14H2,1-2H3,(H,23,26)(H2,22,24,27)/p+1