6-azanyl-5-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanoyl]-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanoyl]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-oxoethyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C20H24N5O3S+ MolecularWeight: 414.50126

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)C(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3)N

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)C(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3)N

InChI

InChI=1S/C20H23N5O3S/c1-23-17(21)16(19(27)24(2)20(23)28)14(26)11-25-9-7-12(8-10-25)18-22-13-5-3-4-6-15(13)29-18/h3-6,12H,7-11,21H2,1-2H3/p+1