(2Z)-N-ethyl-4-methyl-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]chromen-7-amine perchlorate

Systemtic Name: (2Z)-N-ethyl-4-methyl-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]chromen-7-amine perchlorate Openeye Name: (2Z)-N-ethyl-4-methyl-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylene]chromen-7-amine perchlorate CAS Name: (2Z)-N-ethyl-4-methyl-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1-benzopyran-7-amine perchlorate IUPAC Name: (2Z)-N-ethyl-4-methyl-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]chromen-7-amine perchlorate Traditional Name: ethyl-[(2Z)-4-methyl-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylene]chromen-7-yl]amine perchlorate Formula: C21H21ClN2O5S MolecularWeight: 448.91984

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC2=C(C=C1)C(=CC(=CC3=[N+](C4=CC=CC=C4S3)C)O2)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCNC1=CC2=C(C=C1)C(=C/C(=C/C3=[N+](C4=CC=CC=C4S3)C)/O2)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C21H20N2OS.ClHO4/c1-4-22-15-9-10-17-14(2)11-16(24-19(17)12-15)13-21-23(3)18-7-5-6-8-20(18)25-21;2-1(3,4)5/h5-13H,4H2,1-3H3;(H,2,3,4,5)