1-(phenylmethyl)-3-pyridin-3-yl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]pyrazole-4-carboxamide

Systemtic Name: 1-(phenylmethyl)-3-pyridin-3-yl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]pyrazole-4-carboxamide Openeye Name: 1-benzyl-3-(3-pyridyl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]pyrazole-4-carboxamide CAS Name: 1-(phenylmethyl)-3-(3-pyridinyl)-N-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-3-pyridin-3-yl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-3-(3-pyridyl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]pyrazole-4-carboxamide Formula: C27H28N5O+ MolecularWeight: 438.54412

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)NC(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)NC(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H27N5O/c33-27(29-24-12-10-22(11-13-24)18-31-15-4-5-16-31)25-20-32(19-21-7-2-1-3-8-21)30-26(25)23-9-6-14-28-17-23/h1-3,6-14,17,20H,4-5,15-16,18-19H2,(H,29,33)/p+1