2-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]pyridin-1-ium-3-amine

Systemtic Name: 2-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]pyridin-1-ium-3-amine Openeye Name: 2-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]pyridin-1-ium-3-amine CAS Name: 2-[4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-1-piperazinyl]-3-pyridin-1-iumamine IUPAC Name: 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyridin-1-ium-3-amine Traditional Name: [2-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazino]pyridin-1-ium-3-yl]amine Formula: C16H25N6+ MolecularWeight: 301.4099

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)CN2CCN(CC2)C3=C(C=CC=[NH+]3)N

Isomeric SMILES

CCN1C=C(C(=N1)C)CN2CCN(CC2)C3=C(C=CC=[NH+]3)N

InChI

InChI=1S/C16H24N6/c1-3-22-12-14(13(2)19-22)11-20-7-9-21(10-8-20)16-15(17)5-4-6-18-16/h4-6,12H,3,7-11,17H2,1-2H3/p+1