2-[(E)-2-phenylethenyl]-3-(phenylmethyl)-1,3-benzothiazol-3-ium nitrate

Systemtic Name: 2-[(E)-2-phenylethenyl]-3-(phenylmethyl)-1,3-benzothiazol-3-ium nitrate Openeye Name: 3-benzyl-2-[(E)-styryl]-1,3-benzothiazol-3-ium nitrate CAS Name: 2-[(E)-2-phenylethenyl]-3-(phenylmethyl)-1,3-benzothiazol-3-ium nitrate IUPAC Name: 3-benzyl-2-[(E)-2-phenylethenyl]-1,3-benzothiazol-3-ium nitrate Traditional Name: 3-benzyl-2-[(E)-styryl]-1,3-benzothiazol-3-ium nitrate Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(SC3=CC=CC=C32)C=CC4=CC=CC=C4.[N+](=O)([O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(SC3=CC=CC=C32)/C=C/C4=CC=CC=C4.[N+](=O)([O-])[O-]

InChI

InChI=1S/C22H18NS.NO3/c1-3-9-18(10-4-1)15-16-22-23(17-19-11-5-2-6-12-19)20-13-7-8-14-21(20)24-22;2-1(3)4/h1-16H,17H2;/q+1;-1/b16-15+;