2,2-dimethyl-4-[(E)-2-(4-phenylphenyl)ethenyl]-3H-1,5-benzothiazepin-5-ium

Systemtic Name: 2,2-dimethyl-4-[(E)-2-(4-phenylphenyl)ethenyl]-3H-1,5-benzothiazepin-5-ium Openeye Name: 2,2-dimethyl-4-[(E)-2-(4-phenylphenyl)vinyl]-3H-1,5-benzothiazepin-5-ium CAS Name: 2,2-dimethyl-4-[(E)-2-(4-phenylphenyl)ethenyl]-3H-1,5-benzothiazepin-5-ium IUPAC Name: 2,2-dimethyl-4-[(E)-2-(4-phenylphenyl)ethenyl]-3H-1,5-benzothiazepin-5-ium Traditional Name: 2,2-dimethyl-4-[(E)-2-(4-phenylphenyl)vinyl]-3H-1,5-benzothiazepin-5-ium Formula: C25H24NS+ MolecularWeight: 370.52976

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=[NH+]C2=CC=CC=C2S1)C=CC3=CC=C(C=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1(CC(=[NH+]C2=CC=CC=C2S1)/C=C/C3=CC=C(C=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H23NS/c1-25(2)18-22(26-23-10-6-7-11-24(23)27-25)17-14-19-12-15-21(16-13-19)20-8-4-3-5-9-20/h3-17H,18H2,1-2H3/p+1/b17-14+