2-[4-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)ethanamide

Systemtic Name: 2-[4-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)ethanamide Openeye Name: 2-[4-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide CAS Name: 2-[4-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl]-1-piperazin-1-iumyl]-N-(3-methoxypropyl)acetamide IUPAC Name: 2-[4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide Traditional Name: 2-[4-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide Formula: C21H31ClN5O2+ MolecularWeight: 420.95614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CC[NH+](CC2)CC(=O)NCCCOC)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1CN2CC[NH+](CC2)CC(=O)NCCCOC)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H30ClN5O2/c1-17-19(21(22)27(24-17)18-7-4-3-5-8-18)15-25-10-12-26(13-11-25)16-20(28)23-9-6-14-29-2/h3-5,7-8H,6,9-16H2,1-2H3,(H,23,28)/p+1