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

Systemtic Name: 3-(2-methoxyphenyl)-1-(phenylmethyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]pyrazole-4-carboxamide Openeye Name: 1-benzyl-3-(2-methoxyphenyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]pyrazole-4-carboxamide CAS Name: 3-(2-methoxyphenyl)-1-(phenylmethyl)-N-[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-3-(2-methoxyphenyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-3-(2-methoxyphenyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]pyrazole-4-carboxamide Formula: C30H33N4O2+ MolecularWeight: 481.60862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN(C=C2C(=O)NCC(C3=CC=CC=C3)[NH+]4CCCC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1C2=NN(C=C2C(=O)NC[C@@H](C3=CC=CC=C3)[NH+]4CCCC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H32N4O2/c1-36-28-17-9-8-16-25(28)29-26(22-34(32-29)21-23-12-4-2-5-13-23)30(35)31-20-27(33-18-10-11-19-33)24-14-6-3-7-15-24/h2-9,12-17,22,27H,10-11,18-21H2,1H3,(H,31,35)/p+1/t27-/m0/s1