N-(2-methylpropyl)-6-morpholin-4-yl-N-(phenylmethyl)pyridin-1-ium-3-carboxamide

Systemtic Name: N-(2-methylpropyl)-6-morpholin-4-yl-N-(phenylmethyl)pyridin-1-ium-3-carboxamide Openeye Name: N-benzyl-N-isobutyl-6-morpholino-pyridin-1-ium-3-carboxamide CAS Name: N-(2-methylpropyl)-6-(4-morpholinyl)-N-(phenylmethyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-benzyl-N-(2-methylpropyl)-6-morpholin-4-ylpyridin-1-ium-3-carboxamide Traditional Name: N-benzyl-N-isobutyl-6-morpholino-pyridin-1-ium-3-carboxamide Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=CC=C1)C(=O)C2=C[NH+]=C(C=C2)N3CCOCC3

Isomeric SMILES

CC(C)CN(CC1=CC=CC=C1)C(=O)C2=C[NH+]=C(C=C2)N3CCOCC3

InChI

InChI=1S/C21H27N3O2/c1-17(2)15-24(16-18-6-4-3-5-7-18)21(25)19-8-9-20(22-14-19)23-10-12-26-13-11-23/h3-9,14,17H,10-13,15-16H2,1-2H3/p+1