N,N-dimethyl-4-[(Z)-(3-phenyl-1,4-benzothiazin-4-ium-2-ylidene)methyl]aniline perchlorate

Systemtic Name: N,N-dimethyl-4-[(Z)-(3-phenyl-1,4-benzothiazin-4-ium-2-ylidene)methyl]aniline perchlorate Openeye Name: N,N-dimethyl-4-[(Z)-(3-phenyl-1,4-benzothiazin-4-ium-2-ylidene)methyl]aniline perchlorate CAS Name: N,N-dimethyl-4-[(Z)-(3-phenyl-1,4-benzothiazin-4-ium-2-ylidene)methyl]aniline perchlorate IUPAC Name: N,N-dimethyl-4-[(Z)-(3-phenyl-1,4-benzothiazin-4-ium-2-ylidene)methyl]aniline perchlorate Traditional Name: dimethyl-[4-[(Z)-(3-phenyl-1,4-benzothiazin-4-ium-2-ylidene)methyl]phenyl]amine perchlorate Formula: C23H21ClN2O4S MolecularWeight: 456.94184

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=C2C(=[NH+]C3=CC=CC=C3S2)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C\2/C(=[NH+]C3=CC=CC=C3S2)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C23H20N2S.ClHO4/c1-25(2)19-14-12-17(13-15-19)16-22-23(18-8-4-3-5-9-18)24-20-10-6-7-11-21(20)26-22;2-1(3,4)5/h3-16H,1-2H3;(H,2,3,4,5)/b22-16-;