2-[4-(4-ethanoylphenyl)piperazin-1-yl]-6-(4-methylthiophen-2-yl)-N-(1,2-oxazol-3-ylmethyl)pyridin-1-ium-3-carboxamide

Systemtic Name: 2-[4-(4-ethanoylphenyl)piperazin-1-yl]-6-(4-methylthiophen-2-yl)-N-(1,2-oxazol-3-ylmethyl)pyridin-1-ium-3-carboxamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(isoxazol-3-ylmethyl)-6-(4-methyl-2-thienyl)pyridin-1-ium-3-carboxamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazinyl]-N-(3-isoxazolylmethyl)-6-(4-methyl-2-thiophenyl)-3-pyridin-1-iumcarboxamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-6-(4-methylthiophen-2-yl)-N-(1,2-oxazol-3-ylmethyl)pyridin-1-ium-3-carboxamide Traditional Name: 2-[4-(4-acetylphenyl)piperazino]-N-(isoxazol-3-ylmethyl)-6-(4-methyl-2-thienyl)pyridin-1-ium-3-carboxamide Formula: C27H28N5O3S+ MolecularWeight: 502.60792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C2=[NH+]C(=C(C=C2)C(=O)NCC3=NOC=C3)N4CCN(CC4)C5=CC=C(C=C5)C(=O)C

Isomeric SMILES

CC1=CSC(=C1)C2=[NH+]C(=C(C=C2)C(=O)NCC3=NOC=C3)N4CCN(CC4)C5=CC=C(C=C5)C(=O)C

InChI

InChI=1S/C27H27N5O3S/c1-18-15-25(36-17-18)24-8-7-23(27(34)28-16-21-9-14-35-30-21)26(29-24)32-12-10-31(11-13-32)22-5-3-20(4-6-22)19(2)33/h3-9,14-15,17H,10-13,16H2,1-2H3,(H,28,34)/p+1