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

Systemtic Name: N-cyclopropyl-N-[(1S)-1-[1-[(3-methylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]pyridine-2-carboxamide Openeye Name: N-cyclopropyl-N-[(1S)-1-[1-[(3-methyl-2-thienyl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]pyridine-2-carboxamide CAS Name: N-cyclopropyl-N-[(1S)-1-[1-[(3-methyl-2-thiophenyl)methyl]-4-piperidin-1-iumyl]-2-phenylethyl]-2-pyridinecarboxamide IUPAC Name: N-cyclopropyl-N-[(1S)-1-[1-[(3-methylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]-2-phenylethyl]pyridine-2-carboxamide Traditional Name: N-cyclopropyl-N-[(1S)-1-[1-[(3-methyl-2-thienyl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]picolinamide Formula: C28H34N3OS+ MolecularWeight: 460.65406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[NH+]2CCC(CC2)C(CC3=CC=CC=C3)N(C4CC4)C(=O)C5=CC=CC=N5

Isomeric SMILES

CC1=C(SC=C1)C[NH+]2CCC(CC2)[C@H](CC3=CC=CC=C3)N(C4CC4)C(=O)C5=CC=CC=N5

InChI

InChI=1S/C28H33N3OS/c1-21-14-18-33-27(21)20-30-16-12-23(13-17-30)26(19-22-7-3-2-4-8-22)31(24-10-11-24)28(32)25-9-5-6-15-29-25/h2-9,14-15,18,23-24,26H,10-13,16-17,19-20H2,1H3/p+1/t26-/m0/s1