5-[6-methyl-2-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-4-phenyl-pyrimidin-1-ium-1-yl]pentanoic acid

Systemtic Name: 5-[6-methyl-2-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-4-phenyl-pyrimidin-1-ium-1-yl]pentanoic acid Openeye Name: 5-[6-methyl-2-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-4-phenyl-pyrimidin-1-ium-1-yl]pentanoic acid CAS Name: 5-[6-methyl-2-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-4-phenyl-1-pyrimidin-1-iumyl]pentanoic acid IUPAC Name: 5-[6-methyl-2-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-4-phenylpyrimidin-1-ium-1-yl]pentanoic acid Traditional Name: 5-[6-methyl-2-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-4-phenyl-pyrimidin-1-ium-1-yl]valeric acid Formula: C25H26N3O2S+ MolecularWeight: 432.55784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=NC(=C1)C2=CC=CC=C2)C=C3N(C4=CC=CC=C4S3)C)CCCCC(=O)O

Isomeric SMILES

CC1=[N+](C(=NC(=C1)C2=CC=CC=C2)/C=C/3\N(C4=CC=CC=C4S3)C)CCCCC(=O)O

InChI

InChI=1S/C25H25N3O2S/c1-18-16-20(19-10-4-3-5-11-19)26-23(28(18)15-9-8-14-25(29)30)17-24-27(2)21-12-6-7-13-22(21)31-24/h3-7,10-13,16-17H,8-9,14-15H2,1-2H3/p+1