2-[4-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C21H29ClN5O+ MolecularWeight: 402.94086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CC[NH+](CC2)CC(=O)N3CCCC3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1CN2CC[NH+](CC2)CC(=O)N3CCCC3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H28ClN5O/c1-17-19(21(22)27(23-17)18-7-3-2-4-8-18)15-24-11-13-25(14-12-24)16-20(28)26-9-5-6-10-26/h2-4,7-8H,5-6,9-16H2,1H3/p+1