[(2R)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(1-methylpyrazol-4-yl)ethyl]azanium

Systemtic Name: [(2R)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(1-methylpyrazol-4-yl)ethyl]azanium Openeye Name: [(2R)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(1-methylpyrazol-4-yl)ethyl]ammonium CAS Name: [(2R)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(1-methyl-4-pyrazolyl)ethyl]ammonium IUPAC Name: [(2R)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(1-methylpyrazol-4-yl)ethyl]azanium Traditional Name: [(2R)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(1-methylpyrazol-4-yl)ethyl]ammonium Formula: C12H25N5+2 MolecularWeight: 239.3604

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(C[NH3+])C2=CN(N=C2)C

Isomeric SMILES

C[NH+]1CCCN(CC1)[C@@H](C[NH3+])C2=CN(N=C2)C

InChI

InChI=1S/C12H23N5/c1-15-4-3-5-17(7-6-15)12(8-13)11-9-14-16(2)10-11/h9-10,12H,3-8,13H2,1-2H3/p+2/t12-/m0/s1