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

Systemtic Name: N-cyclopropyl-N-[(1S)-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]pyridine-2-carboxamide Openeye Name: N-cyclopropyl-N-[(1S)-1-[1-(o-tolylmethyl)piperidin-1-ium-4-yl]-2-phenyl-ethyl]pyridine-2-carboxamide CAS Name: N-cyclopropyl-N-[(1S)-1-[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]-2-phenylethyl]-2-pyridinecarboxamide IUPAC Name: N-cyclopropyl-N-[(1S)-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]-2-phenylethyl]pyridine-2-carboxamide Traditional Name: N-cyclopropyl-N-[(1S)-1-[1-(2-methylbenzyl)piperidin-1-ium-4-yl]-2-phenyl-ethyl]picolinamide Formula: C30H36N3O+ MolecularWeight: 454.62634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H35N3O/c1-23-9-5-6-12-26(23)22-32-19-16-25(17-20-32)29(21-24-10-3-2-4-11-24)33(27-14-15-27)30(34)28-13-7-8-18-31-28/h2-13,18,25,27,29H,14-17,19-22H2,1H3/p+1/t29-/m0/s1