[(2S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(5-methylfuran-2-yl)ethyl]azanium

Systemtic Name: [(2S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(5-methylfuran-2-yl)ethyl]azanium Openeye Name: [(2S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(5-methyl-2-furyl)ethyl]ammonium CAS Name: [(2S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(5-methyl-2-furanyl)ethyl]ammonium IUPAC Name: [(2S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(5-methylfuran-2-yl)ethyl]azanium Traditional Name: [(2S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(5-methyl-2-furyl)ethyl]ammonium Formula: C13H25N3O+2 MolecularWeight: 239.3571

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(C[NH3+])N2CCC[NH+](CC2)C

Isomeric SMILES

CC1=CC=C(O1)[C@H](C[NH3+])N2CCC[NH+](CC2)C

InChI

InChI=1S/C13H23N3O/c1-11-4-5-13(17-11)12(10-14)16-7-3-6-15(2)8-9-16/h4-5,12H,3,6-10,14H2,1-2H3/p+2/t12-/m0/s1