[3-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl]phenyl]methylazanium

Systemtic Name: [3-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl]phenyl]methylazanium Openeye Name: [3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]phenyl]methylammonium CAS Name: [3-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]methyl]phenyl]methylammonium IUPAC Name: [3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]phenyl]methylazanium Traditional Name: [3-[[4-(2-furoyl)piperazino]methyl]benzyl]ammonium Formula: C17H22N3O2+ MolecularWeight: 300.37548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)C[NH3+])C(=O)C3=CC=CO3

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)C[NH3+])C(=O)C3=CC=CO3

InChI

InChI=1S/C17H21N3O2/c18-12-14-3-1-4-15(11-14)13-19-6-8-20(9-7-19)17(21)16-5-2-10-22-16/h1-5,10-11H,6-9,12-13,18H2/p+1