N-[(4-fluorophenyl)methyl]-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-1-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-1-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: N-(4-fluorobenzyl)-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide Formula: C27H29FN5O+ MolecularWeight: 458.550463

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4)C(=O)NCC5=CC=C(C=C5)F

Isomeric SMILES

C1CC(C[NH+](C1)CC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4)C(=O)NCC5=CC=C(C=C5)F

InChI

InChI=1S/C27H28FN5O/c28-24-12-10-21(11-13-24)17-29-26(34)22-7-6-14-31(19-22)20-23-18-30-33(25-8-2-1-3-9-25)27(23)32-15-4-5-16-32/h1-5,8-13,15-16,18,22H,6-7,14,17,19-20H2,(H,29,34)/p+1