1-[4-(2-methylpyridin-1-ium-4-yl)piperazin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one

Systemtic Name: 1-[4-(2-methylpyridin-1-ium-4-yl)piperazin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one Openeye Name: 1-[4-(2-methylpyridin-1-ium-4-yl)piperazin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one CAS Name: 1-[4-(2-methyl-4-pyridin-1-iumyl)-1-piperazinyl]-3-(1H-pyrazol-4-yl)-1-propanone IUPAC Name: 1-[4-(2-methylpyridin-1-ium-4-yl)piperazin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one Traditional Name: 1-[4-(2-methylpyridin-1-ium-4-yl)piperazino]-3-(1H-pyrazol-4-yl)propan-1-one Formula: C16H22N5O+ MolecularWeight: 300.37878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C=CC(=C1)N2CCN(CC2)C(=O)CCC3=CNN=C3

Isomeric SMILES

CC1=[NH+]C=CC(=C1)N2CCN(CC2)C(=O)CCC3=CNN=C3

InChI

InChI=1S/C16H21N5O/c1-13-10-15(4-5-17-13)20-6-8-21(9-7-20)16(22)3-2-14-11-18-19-12-14/h4-5,10-12H,2-3,6-9H2,1H3,(H,18,19)/p+1