N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-6-[[(3S)-oxolan-3-yl]amino]pyridin-1-ium-3-carboxamide

Systemtic Name: N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-6-[[(3S)-oxolan-3-yl]amino]pyridin-1-ium-3-carboxamide Openeye Name: N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-6-[[(3S)-tetrahydrofuran-3-yl]amino]pyridin-1-ium-3-carboxamide CAS Name: N-ethyl-N-[(1-methyl-2-imidazolyl)methyl]-6-[[(3S)-3-oxolanyl]amino]-3-pyridin-1-iumcarboxamide IUPAC Name: N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-6-[[(3S)-oxolan-3-yl]amino]pyridin-1-ium-3-carboxamide Traditional Name: N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-6-[[(3S)-tetrahydrofuran-3-yl]amino]pyridin-1-ium-3-carboxamide Formula: C17H24N5O2+ MolecularWeight: 330.40476

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC=CN1C)C(=O)C2=C[NH+]=C(C=C2)NC3CCOC3

Isomeric SMILES

CCN(CC1=NC=CN1C)C(=O)C2=C[NH+]=C(C=C2)N[C@H]3CCOC3

InChI

InChI=1S/C17H23N5O2/c1-3-22(11-16-18-7-8-21(16)2)17(23)13-4-5-15(19-10-13)20-14-6-9-24-12-14/h4-5,7-8,10,14H,3,6,9,11-12H2,1-2H3,(H,19,20)/p+1/t14-/m0/s1