[(2R)-2-(1-methylpyrazol-4-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium

Systemtic Name: [(2R)-2-(1-methylpyrazol-4-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: [(2R)-2-(1-methylpyrazol-4-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: [(2R)-2-(1-methyl-4-pyrazolyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: [(2R)-2-(1-methylpyrazol-4-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: [(2R)-2-(1-methylpyrazol-4-yl)-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]ammonium Formula: C15H24N6+2 MolecularWeight: 288.39126

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(C[NH3+])N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CN1C=C(C=N1)[C@H](C[NH3+])N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C15H22N6/c1-19-12-13(11-18-19)14(10-16)20-6-8-21(9-7-20)15-4-2-3-5-17-15/h2-5,11-12,14H,6-10,16H2,1H3/p+2/t14-/m0/s1