[2-(2-dimethylaminoethyloxy)-5-phenyl-benzo[b][1]benzothiepin-6-yl]-diethyl-propanoyl-azanium

Systemtic Name: [2-(2-dimethylaminoethyloxy)-5-phenyl-benzo[b][1]benzothiepin-6-yl]-diethyl-propanoyl-azanium Openeye Name: [2-(2-dimethylaminoethyloxy)-5-phenyl-benzo[b][1]benzothiepin-6-yl]-diethyl-propanoyl-ammonium CAS Name: [2-(2-dimethylaminoethyloxy)-5-phenyl-6-benzo[b][1]benzothiepinyl]-diethyl-(1-oxopropyl)ammonium IUPAC Name: [2-(2-dimethylaminoethyloxy)-5-phenylbenzo[b][1]benzothiepin-6-yl]-diethyl-propanoylazanium Traditional Name: [2-(2-dimethylaminoethyloxy)-5-phenyl-benzo[b][1]benzothiepin-6-yl]-diethyl-propionyl-ammonium Formula: C31H37N2O2S+ MolecularWeight: 501.70268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)[N+](CC)(CC)C1=C(C2=C(C=C(C=C2)OCCN(C)C)SC3=CC=CC=C31)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)[N+](CC)(CC)C1=C(C2=C(C=C(C=C2)OCCN(C)C)SC3=CC=CC=C31)C4=CC=CC=C4

InChI

InChI=1S/C31H37N2O2S/c1-6-29(34)33(7-2,8-3)31-26-16-12-13-17-27(26)36-28-22-24(35-21-20-32(4)5)18-19-25(28)30(31)23-14-10-9-11-15-23/h9-19,22H,6-8,20-21H2,1-5H3/q+1