2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]ethanamide

Systemtic Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]ethanamide Openeye Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]acetamide CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-N-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]acetamide IUPAC Name: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]acetamide Traditional Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]acetamide Formula: C23H29N4O2+ MolecularWeight: 393.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NCC(C3=CC=CO3)[NH+]4CCCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NC[C@@H](C3=CC=CO3)[NH+]4CCCC4

InChI

InChI=1S/C23H28N4O2/c1-17-20(18(2)27(25-17)19-9-4-3-5-10-19)15-23(28)24-16-21(22-11-8-14-29-22)26-12-6-7-13-26/h3-5,8-11,14,21H,6-7,12-13,15-16H2,1-2H3,(H,24,28)/p+1/t21-/m0/s1