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

Systemtic Name: 4-[(E)-2-(4-ethylphenyl)ethenyl]-2,2-dimethyl-3H-1,5-benzothiazepin-5-ium Openeye Name: 4-[(E)-2-(4-ethylphenyl)vinyl]-2,2-dimethyl-3H-1,5-benzothiazepin-5-ium CAS Name: 4-[(E)-2-(4-ethylphenyl)ethenyl]-2,2-dimethyl-3H-1,5-benzothiazepin-5-ium IUPAC Name: 4-[(E)-2-(4-ethylphenyl)ethenyl]-2,2-dimethyl-3H-1,5-benzothiazepin-5-ium Traditional Name: 4-[(E)-2-(4-ethylphenyl)vinyl]-2,2-dimethyl-3H-1,5-benzothiazepin-5-ium Formula: C21H24NS+ MolecularWeight: 322.48696

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=CC2=[NH+]C3=CC=CC=C3SC(C2)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)/C=C/C2=[NH+]C3=CC=CC=C3SC(C2)(C)C

InChI

InChI=1S/C21H23NS/c1-4-16-9-11-17(12-10-16)13-14-18-15-21(2,3)23-20-8-6-5-7-19(20)22-18/h5-14H,4,15H2,1-3H3/p+1/b14-13+