3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[5-(3,4-dimethylphenyl)oxazol-2-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[5-(3,4-dimethylphenyl)-2-oxazolyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[5-(3,4-dimethylphenyl)oxazol-2-yl]-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CN=C(O2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CN=C(O2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C

InChI

InChI=1S/C23H26N4O2/c1-17-6-7-19(15-18(17)2)20-16-25-22(29-20)8-9-23(28)27-13-11-26(12-14-27)21-5-3-4-10-24-21/h3-7,10,15-16H,8-9,11-14H2,1-2H3/p+1