2-[(2S)-2-(4-methylpentyl)morpholin-4-yl]pyridin-1-ium-3-carboxamide

Systemtic Name: 2-[(2S)-2-(4-methylpentyl)morpholin-4-yl]pyridin-1-ium-3-carboxamide Openeye Name: 2-[(2S)-2-isohexylmorpholin-4-yl]pyridin-1-ium-3-carboxamide CAS Name: 2-[(2S)-2-(4-methylpentyl)-4-morpholinyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 2-[(2S)-2-(4-methylpentyl)morpholin-4-yl]pyridin-1-ium-3-carboxamide Traditional Name: 2-[(2S)-2-isohexylmorpholino]pyridin-1-ium-3-carboxamide Formula: C16H26N3O2+ MolecularWeight: 292.39654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC1CN(CCO1)C2=C(C=CC=[NH+]2)C(=O)N

Isomeric SMILES

CC(C)CCC[C@H]1CN(CCO1)C2=C(C=CC=[NH+]2)C(=O)N

InChI

InChI=1S/C16H25N3O2/c1-12(2)5-3-6-13-11-19(9-10-21-13)16-14(15(17)20)7-4-8-18-16/h4,7-8,12-13H,3,5-6,9-11H2,1-2H3,(H2,17,20)/p+1/t13-/m0/s1