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

Systemtic Name: 4-(3,4-dimethoxyphenyl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-phenyl-pyrazole-3-carboxamide Openeye Name: 4-(3,4-dimethoxyphenyl)-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-phenyl-pyrazole-3-carboxamide CAS Name: 4-(3,4-dimethoxyphenyl)-N-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1-phenyl-3-pyrazolecarboxamide IUPAC Name: 4-(3,4-dimethoxyphenyl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-1-phenylpyrazole-3-carboxamide Traditional Name: 4-(3,4-dimethoxyphenyl)-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-phenyl-pyrazole-3-carboxamide Formula: C28H31N4O4+ MolecularWeight: 487.57014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N4O4/c1-34-25-13-12-20(17-26(25)35-2)22-19-32(21-9-4-3-5-10-21)30-27(22)28(33)29-18-23(24-11-8-16-36-24)31-14-6-7-15-31/h3-5,8-13,16-17,19,23H,6-7,14-15,18H2,1-2H3,(H,29,33)/p+1/t23-/m0/s1