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

Systemtic Name: 4-[(E)-2-(2,2-dimethyl-3H-1,5-benzothiazepin-5-ium-4-yl)ethenyl]-N,N-dimethyl-aniline Openeye Name: 4-[(E)-2-(2,2-dimethyl-3H-1,5-benzothiazepin-5-ium-4-yl)vinyl]-N,N-dimethyl-aniline CAS Name: 4-[(E)-2-(2,2-dimethyl-3H-1,5-benzothiazepin-5-ium-4-yl)ethenyl]-N,N-dimethylaniline IUPAC Name: 4-[(E)-2-(2,2-dimethyl-3H-1,5-benzothiazepin-5-ium-4-yl)ethenyl]-N,N-dimethylaniline Traditional Name: [4-[(E)-2-(2,2-dimethyl-3H-1,5-benzothiazepin-5-ium-4-yl)vinyl]phenyl]-dimethyl-amine Formula: C21H25N2S+ MolecularWeight: 337.5016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2S/c1-21(2)15-17(22-19-7-5-6-8-20(19)24-21)12-9-16-10-13-18(14-11-16)23(3)4/h5-14H,15H2,1-4H3/p+1/b12-9+