5-(3,4-dimethylphenyl)-N-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)propyl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-(3,4-dimethylphenyl)-N-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)propyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-(3,4-dimethylphenyl)-N-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)propyl]isoxazole-3-carboxamide CAS Name: 5-(3,4-dimethylphenyl)-N-[(2R)-2-(4-methyl-1-piperazin-4-iumyl)propyl]-3-isoxazolecarboxamide IUPAC Name: 5-(3,4-dimethylphenyl)-N-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)propyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-(3,4-dimethylphenyl)-N-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)propyl]isoxazole-3-carboxamide Formula: C20H29N4O2+ MolecularWeight: 357.46986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)NCC(C)N3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)NC[C@@H](C)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C20H28N4O2/c1-14-5-6-17(11-15(14)2)19-12-18(22-26-19)20(25)21-13-16(3)24-9-7-23(4)8-10-24/h5-6,11-12,16H,7-10,13H2,1-4H3,(H,21,25)/p+1/t16-/m1/s1