N-cyclopropyl-N-[(1S)-1-[1-[(5-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]pyridine-2-carboxamide

Systemtic Name: N-cyclopropyl-N-[(1S)-1-[1-[(5-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]pyridine-2-carboxamide Openeye Name: N-cyclopropyl-N-[(1S)-1-[1-[(2-hydroxy-5-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]pyridine-2-carboxamide CAS Name: N-cyclopropyl-N-[(1S)-1-[1-[(2-hydroxy-5-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-2-phenylethyl]-2-pyridinecarboxamide IUPAC Name: N-cyclopropyl-N-[(1S)-1-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-2-phenylethyl]pyridine-2-carboxamide Traditional Name: N-cyclopropyl-N-[(1S)-1-[1-(2-hydroxy-5-methoxy-benzyl)piperidin-1-ium-4-yl]-2-phenyl-ethyl]picolinamide Formula: C30H36N3O3+ MolecularWeight: 486.62514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)C[NH+]2CCC(CC2)C(CC3=CC=CC=C3)N(C4CC4)C(=O)C5=CC=CC=N5

Isomeric SMILES

COC1=CC(=C(C=C1)O)C[NH+]2CCC(CC2)[C@H](CC3=CC=CC=C3)N(C4CC4)C(=O)C5=CC=CC=N5

InChI

InChI=1S/C30H35N3O3/c1-36-26-12-13-29(34)24(20-26)21-32-17-14-23(15-18-32)28(19-22-7-3-2-4-8-22)33(25-10-11-25)30(35)27-9-5-6-16-31-27/h2-9,12-13,16,20,23,25,28,34H,10-11,14-15,17-19,21H2,1H3/p+1/t28-/m0/s1