7,9-dimethoxy-1-phenyl-3,5-dihydro-2H-1,4-benzothiazepin-1-ium-4-carbaldehyde

Systemtic Name: 7,9-dimethoxy-1-phenyl-3,5-dihydro-2H-1,4-benzothiazepin-1-ium-4-carbaldehyde Openeye Name: 7,9-dimethoxy-1-phenyl-3,5-dihydro-2H-1,4-benzothiazepin-1-ium-4-carbaldehyde CAS Name: 7,9-dimethoxy-1-phenyl-3,5-dihydro-2H-1,4-benzothiazepin-1-ium-4-carboxaldehyde IUPAC Name: 7,9-dimethoxy-1-phenyl-3,5-dihydro-2H-1,4-benzothiazepin-1-ium-4-carbaldehyde Traditional Name: 7,9-dimethoxy-1-phenyl-3,5-dihydro-2H-1,4-benzothiazepin-1-ium-4-carbaldehyde Formula: C18H20NO3S+ MolecularWeight: 330.4213

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)CN(CC[S+]2C3=CC=CC=C3)C=O)OC

Isomeric SMILES

COC1=CC(=C2C(=C1)CN(CC[S+]2C3=CC=CC=C3)C=O)OC

InChI

InChI=1S/C18H20NO3S/c1-21-15-10-14-12-19(13-20)8-9-23(16-6-4-3-5-7-16)18(14)17(11-15)22-2/h3-7,10-11,13H,8-9,12H2,1-2H3/q+1