N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]-6-(1,4-oxazepan-4-yl)pyridine-3-carboxamide

Systemtic Name: N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]-6-(1,4-oxazepan-4-yl)pyridine-3-carboxamide Openeye Name: N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]-6-(1,4-oxazepan-4-yl)pyridine-3-carboxamide CAS Name: N-[2-[(2S)-1-methyl-2-piperidin-1-iumyl]ethyl]-6-(1,4-oxazepan-4-yl)-3-pyridinecarboxamide IUPAC Name: N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]-6-(1,4-oxazepan-4-yl)pyridine-3-carboxamide Traditional Name: N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]-6-(1,4-oxazepan-4-yl)nicotinamide Formula: C19H31N4O2+ MolecularWeight: 347.47504

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1CCNC(=O)C2=CN=C(C=C2)N3CCCOCC3

Isomeric SMILES

C[NH+]1CCCC[C@H]1CCNC(=O)C2=CN=C(C=C2)N3CCCOCC3

InChI

InChI=1S/C19H30N4O2/c1-22-10-3-2-5-17(22)8-9-20-19(24)16-6-7-18(21-15-16)23-11-4-13-25-14-12-23/h6-7,15,17H,2-5,8-14H2,1H3,(H,20,24)/p+1/t17-/m0/s1