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

Systemtic Name: 2-[4-[(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[(1-butyl-5-chloro-3-methyl-4-pyrazolyl)methyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[(1-butyl-5-chloro-3-methylpyrazol-4-yl)methyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C18H31ClN5O+ MolecularWeight: 368.92464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)CN2CC[NH+](CC2)CC(=O)NC3CC3)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)CN2CC[NH+](CC2)CC(=O)NC3CC3)Cl

InChI

InChI=1S/C18H30ClN5O/c1-3-4-7-24-18(19)16(14(2)21-24)12-22-8-10-23(11-9-22)13-17(25)20-15-5-6-15/h15H,3-13H2,1-2H3,(H,20,25)/p+1