4-bromanyl-1-ethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-1-ethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]pyrazole-3-carboxamide Openeye Name: 4-bromo-1-ethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]pyrazole-3-carboxamide CAS Name: 4-bromo-1-ethyl-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 4-bromo-1-ethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]pyrazole-3-carboxamide Traditional Name: 4-bromo-1-ethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]pyrazole-3-carboxamide Formula: C17H23BrN5O+ MolecularWeight: 393.30142

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)C)Br

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)C)Br

InChI

InChI=1S/C17H22BrN5O/c1-3-23-12-15(18)16(20-23)17(24)19-13-4-6-14(7-5-13)22-10-8-21(2)9-11-22/h4-7,12H,3,8-11H2,1-2H3,(H,19,24)/p+1