N-cyclopropyl-N-[(1S)-1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]pyridine-2-carboxamide

Systemtic Name: N-cyclopropyl-N-[(1S)-1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]pyridine-2-carboxamide Openeye Name: N-cyclopropyl-N-[(1S)-1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]pyridine-2-carboxamide CAS Name: N-cyclopropyl-N-[(1S)-1-[1-[(1,3-dimethyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]-2-phenylethyl]-2-pyridinecarboxamide IUPAC Name: N-cyclopropyl-N-[(1S)-1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-2-phenylethyl]pyridine-2-carboxamide Traditional Name: N-cyclopropyl-N-[(1S)-1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]picolinamide Formula: C28H36N5O+ MolecularWeight: 458.61834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C[NH+]2CCC(CC2)C(CC3=CC=CC=C3)N(C4CC4)C(=O)C5=CC=CC=N5)C

Isomeric SMILES

CC1=NN(C=C1C[NH+]2CCC(CC2)[C@H](CC3=CC=CC=C3)N(C4CC4)C(=O)C5=CC=CC=N5)C

InChI

InChI=1S/C28H35N5O/c1-21-24(19-31(2)30-21)20-32-16-13-23(14-17-32)27(18-22-8-4-3-5-9-22)33(25-11-12-25)28(34)26-10-6-7-15-29-26/h3-10,15,19,23,25,27H,11-14,16-18,20H2,1-2H3/p+1/t27-/m0/s1