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

Systemtic Name: 6-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyridin-1-ium-3-carboxamide Openeye Name: 6-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-N-[(3-propylisoxazol-5-yl)methyl]pyridin-1-ium-3-carboxamide CAS Name: 6-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-N-[(3-propyl-5-isoxazolyl)methyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 6-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyridin-1-ium-3-carboxamide Traditional Name: 6-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-N-[(3-propylisoxazol-5-yl)methyl]pyridin-1-ium-3-carboxamide Formula: C20H31N5O2+2 MolecularWeight: 373.49244

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NOC(=C1)CNC(=O)C2=C[NH+]=C(C=C2)N(C)C3CC[NH+](CC3)C

Isomeric SMILES

CCCC1=NOC(=C1)CNC(=O)C2=C[NH+]=C(C=C2)N(C)C3CC[NH+](CC3)C

InChI

InChI=1S/C20H29N5O2/c1-4-5-16-12-18(27-23-16)14-22-20(26)15-6-7-19(21-13-15)25(3)17-8-10-24(2)11-9-17/h6-7,12-13,17H,4-5,8-11,14H2,1-3H3,(H,22,26)/p+2