2-chloranyl-N-[(2-phenylpyrazol-3-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide

Systemtic Name: 2-chloranyl-N-[(2-phenylpyrazol-3-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Openeye Name: 2-chloro-N-[(2-phenylpyrazol-3-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide CAS Name: 2-chloro-N-[(2-phenyl-3-pyrazolyl)methyl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 2-chloro-N-[(2-phenylpyrazol-3-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Traditional Name: 2-chloro-N-[(2-phenylpyrazol-3-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Formula: C23H26ClN4O+ MolecularWeight: 409.93174

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN(CC2=CC=NN2C3=CC=CC=C3)C(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1CC[NH+](C1)CCN(CC2=CC=NN2C3=CC=CC=C3)C(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C23H25ClN4O/c24-22-11-5-4-10-21(22)23(29)27(17-16-26-14-6-7-15-26)18-20-12-13-25-28(20)19-8-2-1-3-9-19/h1-5,8-13H,6-7,14-18H2/p+1