N,N-dimethyl-4-[(6E)-2-phenyl-6-pyrrol-1-ium-3-ylidene-thiopyran-4-yl]aniline perchlorate

Systemtic Name: N,N-dimethyl-4-[(6E)-2-phenyl-6-pyrrol-1-ium-3-ylidene-thiopyran-4-yl]aniline perchlorate Openeye Name: N,N-dimethyl-4-[(6E)-2-phenyl-6-pyrrol-1-ium-3-ylidene-thiopyran-4-yl]aniline perchlorate CAS Name: N,N-dimethyl-4-[(6E)-2-phenyl-6-(3-pyrrol-1-iumylidene)-4-thiopyranyl]aniline perchlorate IUPAC Name: N,N-dimethyl-4-[(6E)-2-phenyl-6-pyrrol-1-ium-3-ylidenethiopyran-4-yl]aniline perchlorate Traditional Name: dimethyl-[4-[(6E)-2-phenyl-6-pyrrol-1-ium-3-ylidene-thiopyran-4-yl]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)C2=CC(=C3C=C[NH+]=C3)SC(=C2)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2=C/C(=C\3/C=C[NH+]=C3)/SC(=C2)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C23H20N2S.ClHO4/c1-25(2)21-10-8-17(9-11-21)20-14-22(18-6-4-3-5-7-18)26-23(15-20)19-12-13-24-16-19;2-1(3,4)5/h3-16H,1-2H3;(H,2,3,4,5)/b23-19+;