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

Systemtic Name: [4-[4-[3-(furan-2-yl)propyl]piperazin-4-ium-1-yl]phenyl]methylazanium Openeye Name: [4-[4-[3-(2-furyl)propyl]piperazin-4-ium-1-yl]phenyl]methylammonium CAS Name: [4-[4-[3-(2-furanyl)propyl]-1-piperazin-4-iumyl]phenyl]methylammonium IUPAC Name: [4-[4-[3-(furan-2-yl)propyl]piperazin-4-ium-1-yl]phenyl]methylazanium Traditional Name: [4-[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=C(C=C3)C[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O/c19-15-16-5-7-17(8-6-16)21-12-10-20(11-13-21)9-1-3-18-4-2-14-22-18/h2,4-8,14H,1,3,9-13,15,19H2/p+2