[(2S)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-2-(1-methylpyrazol-4-yl)ethyl]azanium

Systemtic Name: [(2S)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-2-(1-methylpyrazol-4-yl)ethyl]azanium Openeye Name: [(2S)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-2-(1-methylpyrazol-4-yl)ethyl]ammonium CAS Name: [(2S)-2-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-2-(1-methyl-4-pyrazolyl)ethyl]ammonium IUPAC Name: [(2S)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-2-(1-methylpyrazol-4-yl)ethyl]azanium Traditional Name: [(2S)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-2-(1-methylpyrazol-4-yl)ethyl]ammonium Formula: C13H27N5+2 MolecularWeight: 253.38698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H25N5/c1-16-6-4-12(5-7-16)18(3)13(8-14)11-9-15-17(2)10-11/h9-10,12-13H,4-8,14H2,1-3H3/p+2/t13-/m1/s1