(3S)-N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]oxolane-3-carboxamide

Systemtic Name: (3S)-N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]oxolane-3-carboxamide Openeye Name: (3S)-N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]tetrahydrofuran-3-carboxamide CAS Name: (3S)-N-[[2-[cyclohexyl(methyl)amino]-3-pyridin-1-iumyl]methyl]-3-oxolanecarboxamide IUPAC Name: (3S)-N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]oxolane-3-carboxamide Traditional Name: (3S)-N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]tetrahydrofuran-3-carboxamide Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C2=C(C=CC=[NH+]2)CNC(=O)C3CCOC3

Isomeric SMILES

CN(C1CCCCC1)C2=C(C=CC=[NH+]2)CNC(=O)[C@H]3CCOC3

InChI

InChI=1S/C18H27N3O2/c1-21(16-7-3-2-4-8-16)17-14(6-5-10-19-17)12-20-18(22)15-9-11-23-13-15/h5-6,10,15-16H,2-4,7-9,11-13H2,1H3,(H,20,22)/p+1/t15-/m0/s1