2-[methyl-(phenylmethyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-pyridin-1-ium-3-carboxamide

Systemtic Name: 2-[methyl-(phenylmethyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-pyridin-1-ium-3-carboxamide Openeye Name: 2-[benzyl(methyl)amino]-6-phenyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridin-1-ium-3-carboxamide CAS Name: 2-[methyl-(phenylmethyl)amino]-N-[[(2R)-2-oxolanyl]methyl]-6-phenyl-3-pyridin-1-iumcarboxamide IUPAC Name: 2-[benzyl(methyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]-6-phenylpyridin-1-ium-3-carboxamide Traditional Name: 2-[benzyl(methyl)amino]-6-phenyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridin-1-ium-3-carboxamide Formula: C25H28N3O2+ MolecularWeight: 402.50872

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=C(C=CC(=[NH+]2)C3=CC=CC=C3)C(=O)NCC4CCCO4

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=C(C=CC(=[NH+]2)C3=CC=CC=C3)C(=O)NC[C@H]4CCCO4

InChI

InChI=1S/C25H27N3O2/c1-28(18-19-9-4-2-5-10-19)24-22(25(29)26-17-21-13-8-16-30-21)14-15-23(27-24)20-11-6-3-7-12-20/h2-7,9-12,14-15,21H,8,13,16-18H2,1H3,(H,26,29)/p+1/t21-/m1/s1