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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCC3=C(ON=C3C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCC3=C(ON=C3C)C

InChI

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