N-cyclopropyl-N-[(1R)-2-phenyl-1-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]ethyl]furan-2-carboxamide

Systemtic Name: N-cyclopropyl-N-[(1R)-2-phenyl-1-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]ethyl]furan-2-carboxamide Openeye Name: N-cyclopropyl-N-[(1R)-2-phenyl-1-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]ethyl]furan-2-carboxamide CAS Name: N-cyclopropyl-N-[(1R)-2-phenyl-1-[1-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumyl]ethyl]-2-furancarboxamide IUPAC Name: N-cyclopropyl-N-[(1R)-2-phenyl-1-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]ethyl]furan-2-carboxamide Traditional Name: N-cyclopropyl-N-[(1R)-2-phenyl-1-[1-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]ethyl]-2-furamide Formula: C30H34N5O2+ MolecularWeight: 496.62326

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(C(CC2=CC=CC=C2)C3CC[NH+](CC3)CC4=CC=CN4C5=NC=CC=N5)C(=O)C6=CC=CO6

Isomeric SMILES

C1CC1N([C@H](CC2=CC=CC=C2)C3CC[NH+](CC3)CC4=CC=CN4C5=NC=CC=N5)C(=O)C6=CC=CO6

InChI

InChI=1S/C30H33N5O2/c36-29(28-10-5-20-37-28)35(25-11-12-25)27(21-23-7-2-1-3-8-23)24-13-18-33(19-14-24)22-26-9-4-17-34(26)30-31-15-6-16-32-30/h1-10,15-17,20,24-25,27H,11-14,18-19,21-22H2/p+1/t27-/m1/s1