6-(4-methyl-1,4-diazepan-4-ium-1-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 6-(4-methyl-1,4-diazepan-4-ium-1-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyridin-1-ium-3-carboxamide Openeye Name: 6-(4-methyl-1,4-diazepan-4-ium-1-yl)-N-[(3-propylisoxazol-5-yl)methyl]pyridin-1-ium-3-carboxamide CAS Name: 6-(4-methyl-1,4-diazepan-4-ium-1-yl)-N-[(3-propyl-5-isoxazolyl)methyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 6-(4-methyl-1,4-diazepan-4-ium-1-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyridin-1-ium-3-carboxamide Traditional Name: 6-(4-methyl-1,4-diazepan-4-ium-1-yl)-N-[(3-propylisoxazol-5-yl)methyl]pyridin-1-ium-3-carboxamide Formula: C19H29N5O2+2 MolecularWeight: 359.46586

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NOC(=C1)CNC(=O)C2=C[NH+]=C(C=C2)N3CCC[NH+](CC3)C

Isomeric SMILES

CCCC1=NOC(=C1)CNC(=O)C2=C[NH+]=C(C=C2)N3CCC[NH+](CC3)C

InChI

InChI=1S/C19H27N5O2/c1-3-5-16-12-17(26-22-16)14-21-19(25)15-6-7-18(20-13-15)24-9-4-8-23(2)10-11-24/h6-7,12-13H,3-5,8-11,14H2,1-2H3,(H,21,25)/p+2