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

Systemtic Name: N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridine-3-carboxamide Openeye Name: N-[3-(3,5-dimethylisoxazol-4-yl)propyl]-6-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridine-3-carboxamide CAS Name: N-[3-(3,5-dimethyl-4-isoxazolyl)propyl]-6-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridinecarboxamide IUPAC Name: N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridine-3-carboxamide Traditional Name: N-[3-(3,5-dimethylisoxazol-4-yl)propyl]-6-(4-methyl-1,4-diazepan-4-ium-1-yl)nicotinamide Formula: C20H30N5O2+ MolecularWeight: 372.4845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CCCNC(=O)C2=CN=C(C=C2)N3CCC[NH+](CC3)C

Isomeric SMILES

CC1=C(C(=NO1)C)CCCNC(=O)C2=CN=C(C=C2)N3CCC[NH+](CC3)C

InChI

InChI=1S/C20H29N5O2/c1-15-18(16(2)27-23-15)6-4-9-21-20(26)17-7-8-19(22-14-17)25-11-5-10-24(3)12-13-25/h7-8,14H,4-6,9-13H2,1-3H3,(H,21,26)/p+1