[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone

Systemtic Name: [5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Openeye Name: (1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone CAS Name: [5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Traditional Name: (1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-(4-pyridin-1-ium-4-ylpiperazino)methanone Formula: C21H23ClN5O+ MolecularWeight: 396.89322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C21H22ClN5O/c1-16-19(20(22)27(24-16)15-17-5-3-2-4-6-17)21(28)26-13-11-25(12-14-26)18-7-9-23-10-8-18/h2-10H,11-15H2,1H3/p+1