N-(3,6-dihydro-2H-pyran-4-ylmethyl)-N-(3-methylphenyl)-2-pyridin-1-ium-1-yl-ethanamide chloride

Systemtic Name: N-(3,6-dihydro-2H-pyran-4-ylmethyl)-N-(3-methylphenyl)-2-pyridin-1-ium-1-yl-ethanamide chloride Openeye Name: N-(3,6-dihydro-2H-pyran-4-ylmethyl)-N-(m-tolyl)-2-pyridin-1-ium-1-yl-acetamide chloride CAS Name: N-(3,6-dihydro-2H-pyran-4-ylmethyl)-N-(3-methylphenyl)-2-(1-pyridin-1-iumyl)acetamide chloride IUPAC Name: N-(3,6-dihydro-2H-pyran-4-ylmethyl)-N-(3-methylphenyl)-2-pyridin-1-ium-1-ylacetamide chloride Traditional Name: N-(3,6-dihydro-2H-pyran-4-ylmethyl)-N-(m-tolyl)-2-pyridin-1-ium-1-yl-acetamide chloride Formula: C20H23ClN2O2 MolecularWeight: 358.86182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC2=CCOCC2)C(=O)C[N+]3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC1=CC(=CC=C1)N(CC2=CCOCC2)C(=O)C[N+]3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C20H23N2O2.ClH/c1-17-6-5-7-19(14-17)22(15-18-8-12-24-13-9-18)20(23)16-21-10-3-2-4-11-21;/h2-8,10-11,14H,9,12-13,15-16H2,1H3;1H/q+1;/p-1