N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(3-methylphenyl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(3-methylphenyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(m-tolyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-(3-methylphenyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(m-tolyl)-1-phenyl-pyrazole-4-carboxamide Formula: C27H29N4O2+ MolecularWeight: 441.54476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN(C=C2C(=O)NCC(C3=CC=CO3)[NH+]4CCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN(C=C2C(=O)NC[C@@H](C3=CC=CO3)[NH+]4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4O2/c1-20-9-7-10-21(17-20)26-23(19-31(29-26)22-11-3-2-4-12-22)27(32)28-18-24(25-13-8-16-33-25)30-14-5-6-15-30/h2-4,7-13,16-17,19,24H,5-6,14-15,18H2,1H3,(H,28,32)/p+1/t24-/m0/s1