(2R)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-1-(phenylmethyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2R)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-1-(phenylmethyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R)-1-benzyl-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2R)-N-[1-[(3-methoxyphenyl)methyl]-4-pyrazolyl]-1-(phenylmethyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R)-1-benzyl-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2R)-1-benzyl-N-(1-m-anisylpyrazol-4-yl)pyrrolidin-1-ium-2-carboxamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2C=C(C=N2)NC(=O)C3CCC[NH+]3CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)CN2C=C(C=N2)NC(=O)[C@H]3CCC[NH+]3CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2/c1-29-21-10-5-9-19(13-21)16-27-17-20(14-24-27)25-23(28)22-11-6-12-26(22)15-18-7-3-2-4-8-18/h2-5,7-10,13-14,17,22H,6,11-12,15-16H2,1H3,(H,25,28)/p+1/t22-/m1/s1