4-[4-[3-(furan-2-yl)propyl]-1,4-diazepan-4-ium-1-yl]aniline

Systemtic Name: 4-[4-[3-(furan-2-yl)propyl]-1,4-diazepan-4-ium-1-yl]aniline Openeye Name: 4-[4-[3-(2-furyl)propyl]-1,4-diazepan-4-ium-1-yl]aniline CAS Name: 4-[4-[3-(2-furanyl)propyl]-1,4-diazepan-4-ium-1-yl]aniline IUPAC Name: 4-[4-[3-(furan-2-yl)propyl]-1,4-diazepan-4-ium-1-yl]aniline Traditional Name: [4-[4-[3-(2-furyl)propyl]-1,4-diazepan-4-ium-1-yl]phenyl]amine Formula: C18H26N3O+ MolecularWeight: 300.41854

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C2=CC=C(C=C2)N)CCCC3=CC=CO3

Isomeric SMILES

C1C[NH+](CCN(C1)C2=CC=C(C=C2)N)CCCC3=CC=CO3

InChI

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