N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxamide

Systemtic Name: N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-5-isopropyl-1-(2-pyridyl)pyrazole-4-carboxamide CAS Name: N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-5-propan-2-yl-1-(2-pyridinyl)-4-pyrazolecarboxamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-5-isopropyl-1-(2-pyridyl)pyrazole-4-carboxamide Formula: C23H28N5O+ MolecularWeight: 390.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=NN1C2=CC=CC=N2)C(=O)NC3CC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=C(C=NN1C2=CC=CC=N2)C(=O)N[C@H]3CC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N5O/c1-17(2)22-20(14-25-28(22)21-10-6-7-12-24-21)23(29)26-19-11-13-27(16-19)15-18-8-4-3-5-9-18/h3-10,12,14,17,19H,11,13,15-16H2,1-2H3,(H,26,29)/p+1/t19-/m0/s1