1,3-dimethyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazole-4-carbaldehyde

Systemtic Name: 1,3-dimethyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazole-4-carbaldehyde Openeye Name: 1,3-dimethyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazole-4-carbaldehyde CAS Name: 1,3-dimethyl-5-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-4-pyrazolecarboxaldehyde IUPAC Name: 1,3-dimethyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazole-4-carbaldehyde Traditional Name: 1,3-dimethyl-5-(4-pyridin-1-ium-2-ylpiperazino)pyrazole-4-carbaldehyde Formula: C15H20N5O+ MolecularWeight: 286.3522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C

Isomeric SMILES

CC1=NN(C(=C1C=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C

InChI

InChI=1S/C15H19N5O/c1-12-13(11-21)15(18(2)17-12)20-9-7-19(8-10-20)14-5-3-4-6-16-14/h3-6,11H,7-10H2,1-2H3/p+1