4-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzothiazepin-4-ium

Systemtic Name: 4-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzothiazepin-4-ium Openeye Name: 4-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzothiazepin-4-ium CAS Name: 4-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzothiazepin-4-ium IUPAC Name: 4-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzothiazepin-4-ium Traditional Name: 4-p-anisyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-4-ium Formula: C17H20NOS+ MolecularWeight: 286.4118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCSC3=CC=CC=C3C2

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCSC3=CC=CC=C3C2

InChI

InChI=1S/C17H19NOS/c1-19-16-8-6-14(7-9-16)12-18-10-11-20-17-5-3-2-4-15(17)13-18/h2-9H,10-13H2,1H3/p+1