N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-(4-propan-2-ylpiperazin-4-ium-1-yl)pyridin-1-ium-3-carboxamide

Systemtic Name: N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-(4-propan-2-ylpiperazin-4-ium-1-yl)pyridin-1-ium-3-carboxamide Openeye Name: N-[3-(3,5-dimethylisoxazol-4-yl)propyl]-6-(4-isopropylpiperazin-4-ium-1-yl)pyridin-1-ium-3-carboxamide CAS Name: N-[3-(3,5-dimethyl-4-isoxazolyl)propyl]-6-(4-propan-2-yl-1-piperazin-4-iumyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-(4-propan-2-ylpiperazin-4-ium-1-yl)pyridin-1-ium-3-carboxamide Traditional Name: N-[3-(3,5-dimethylisoxazol-4-yl)propyl]-6-(4-isopropylpiperazin-4-ium-1-yl)pyridin-1-ium-3-carboxamide Formula: C21H33N5O2+2 MolecularWeight: 387.51902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CCCNC(=O)C2=C[NH+]=C(C=C2)N3CC[NH+](CC3)C(C)C

Isomeric SMILES

CC1=C(C(=NO1)C)CCCNC(=O)C2=C[NH+]=C(C=C2)N3CC[NH+](CC3)C(C)C

InChI

InChI=1S/C21H31N5O2/c1-15(2)25-10-12-26(13-11-25)20-8-7-18(14-23-20)21(27)22-9-5-6-19-16(3)24-28-17(19)4/h7-8,14-15H,5-6,9-13H2,1-4H3,(H,22,27)/p+2