N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-3-morpholin-4-yl-propanamide

Systemtic Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-3-morpholin-4-yl-propanamide Openeye Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-3-morpholino-propanamide CAS Name: N-[[2-(1-azocanyl)-3-pyridin-1-iumyl]methyl]-3-(4-morpholinyl)propanamide IUPAC Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-3-morpholin-4-ylpropanamide Traditional Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-3-morpholino-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)CCN3CCOCC3

Isomeric SMILES

C1CCCN(CCC1)C2=C(C=CC=[NH+]2)CNC(=O)CCN3CCOCC3

InChI

InChI=1S/C20H32N4O2/c25-19(8-12-23-13-15-26-16-14-23)22-17-18-7-6-9-21-20(18)24-10-4-2-1-3-5-11-24/h6-7,9H,1-5,8,10-17H2,(H,22,25)/p+1