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

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(3-methoxyphenyl)pyrazole-4-carboxamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-(3-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3-(3-methoxyphenyl)pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(3-methoxyphenyl)pyrazole-4-carboxamide Formula: C28H31N4O3+ MolecularWeight: 471.57074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)NCC(C3=CC=CO3)[NH+]4CCCC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)NC[C@@H](C3=CC=CO3)[NH+]4CCCC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H30N4O3/c1-34-23-12-7-11-22(17-23)27-24(20-32(30-27)19-21-9-3-2-4-10-21)28(33)29-18-25(26-13-8-16-35-26)31-14-5-6-15-31/h2-4,7-13,16-17,20,25H,5-6,14-15,18-19H2,1H3,(H,29,33)/p+1/t25-/m0/s1