[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl-[(2-phenyl-1,3-thiazol-5-yl)methyl]azanium

Systemtic Name: [2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl-[(2-phenyl-1,3-thiazol-5-yl)methyl]azanium Openeye Name: [2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl-[(2-phenylthiazol-5-yl)methyl]ammonium CAS Name: [2-(4-acetyl-1-piperazinyl)-3-pyridin-1-iumyl]methyl-[(2-phenyl-5-thiazolyl)methyl]ammonium IUPAC Name: [2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl-[(2-phenyl-1,3-thiazol-5-yl)methyl]azanium Traditional Name: [2-(4-acetylpiperazino)pyridin-1-ium-3-yl]methyl-[(2-phenylthiazol-5-yl)methyl]ammonium Formula: C22H27N5OS+2 MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)C[NH2+]CC3=CN=C(S3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)C[NH2+]CC3=CN=C(S3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5OS/c1-17(28)26-10-12-27(13-11-26)21-19(8-5-9-24-21)14-23-15-20-16-25-22(29-20)18-6-3-2-4-7-18/h2-9,16,23H,10-15H2,1H3/p+2