N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-3-(1,2-oxazinan-2-yl)propanamide

Systemtic Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-3-(1,2-oxazinan-2-yl)propanamide Openeye Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-3-(oxazinan-2-yl)propanamide CAS Name: N-[[2-(1-azocanyl)-3-pyridin-1-iumyl]methyl]-3-(2-oxazinanyl)propanamide IUPAC Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-3-(oxazinan-2-yl)propanamide Traditional Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-3-(oxazinan-2-yl)propionamide Formula: C20H33N4O2+ MolecularWeight: 361.50162

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C2=C(C=CC=[NH+]2)CNC(=O)CCN3CCCCO3

Isomeric SMILES

C1CCCN(CCC1)C2=C(C=CC=[NH+]2)CNC(=O)CCN3CCCCO3

InChI

InChI=1S/C20H32N4O2/c25-19(10-15-24-14-6-7-16-26-24)22-17-18-9-8-11-21-20(18)23-12-4-2-1-3-5-13-23/h8-9,11H,1-7,10,12-17H2,(H,22,25)/p+1