[2-[4-[3-(furan-2-yl)propyl]piperazin-4-ium-1-yl]phenyl]methylazanium

Systemtic Name: [2-[4-[3-(furan-2-yl)propyl]piperazin-4-ium-1-yl]phenyl]methylazanium Openeye Name: [2-[4-[3-(2-furyl)propyl]piperazin-4-ium-1-yl]phenyl]methylammonium CAS Name: [2-[4-[3-(2-furanyl)propyl]-1-piperazin-4-iumyl]phenyl]methylammonium IUPAC Name: [2-[4-[3-(furan-2-yl)propyl]piperazin-4-ium-1-yl]phenyl]methylazanium Traditional Name: [2-[4-[3-(2-furyl)propyl]piperazin-4-ium-1-yl]benzyl]ammonium Formula: C18H27N3O+2 MolecularWeight: 301.42648

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC2=CC=CO2)C3=CC=CC=C3C[NH3+]

Isomeric SMILES

C1CN(CC[NH+]1CCCC2=CC=CO2)C3=CC=CC=C3C[NH3+]

InChI

InChI=1S/C18H25N3O/c19-15-16-5-1-2-8-18(16)21-12-10-20(11-13-21)9-3-6-17-7-4-14-22-17/h1-2,4-5,7-8,14H,3,6,9-13,15,19H2/p+2