N-[(2-methylphenyl)methyl]-N-(2-methylpropyl)-6-morpholin-4-yl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[(2-methylphenyl)methyl]-N-(2-methylpropyl)-6-morpholin-4-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-isobutyl-6-morpholino-N-(o-tolylmethyl)pyridin-1-ium-3-carboxamide CAS Name: N-[(2-methylphenyl)methyl]-N-(2-methylpropyl)-6-(4-morpholinyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(2-methylphenyl)methyl]-N-(2-methylpropyl)-6-morpholin-4-ylpyridin-1-ium-3-carboxamide Traditional Name: N-isobutyl-N-(2-methylbenzyl)-6-morpholino-pyridin-1-ium-3-carboxamide Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(CC(C)C)C(=O)C2=C[NH+]=C(C=C2)N3CCOCC3

Isomeric SMILES

CC1=CC=CC=C1CN(CC(C)C)C(=O)C2=C[NH+]=C(C=C2)N3CCOCC3

InChI

InChI=1S/C22H29N3O2/c1-17(2)15-25(16-20-7-5-4-6-18(20)3)22(26)19-8-9-21(23-14-19)24-10-12-27-13-11-24/h4-9,14,17H,10-13,15-16H2,1-3H3/p+1