6-(1,4-oxazepan-4-yl)-N-(3-pyridin-2-ylpropyl)pyridin-1-ium-3-carboxamide

Systemtic Name: 6-(1,4-oxazepan-4-yl)-N-(3-pyridin-2-ylpropyl)pyridin-1-ium-3-carboxamide Openeye Name: 6-(1,4-oxazepan-4-yl)-N-[3-(2-pyridyl)propyl]pyridin-1-ium-3-carboxamide CAS Name: 6-(1,4-oxazepan-4-yl)-N-[3-(2-pyridinyl)propyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 6-(1,4-oxazepan-4-yl)-N-(3-pyridin-2-ylpropyl)pyridin-1-ium-3-carboxamide Traditional Name: 6-(1,4-oxazepan-4-yl)-N-[3-(2-pyridyl)propyl]pyridin-1-ium-3-carboxamide Formula: C19H25N4O2+ MolecularWeight: 341.4274

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCOC1)C2=[NH+]C=C(C=C2)C(=O)NCCCC3=CC=CC=N3

Isomeric SMILES

C1CN(CCOC1)C2=[NH+]C=C(C=C2)C(=O)NCCCC3=CC=CC=N3

InChI

InChI=1S/C19H24N4O2/c24-19(21-10-3-6-17-5-1-2-9-20-17)16-7-8-18(22-15-16)23-11-4-13-25-14-12-23/h1-2,5,7-9,15H,3-4,6,10-14H2,(H,21,24)/p+1