3-acetyloxypropyl-[(3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-methyl-azanium

Systemtic Name: 3-acetyloxypropyl-[(3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-methyl-azanium Openeye Name: 3-acetoxypropyl-[(3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-methyl-ammonium CAS Name: 3-acetyloxypropyl-[(3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-methylammonium IUPAC Name: 3-acetyloxypropyl-[(3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-methylazanium Traditional Name: 3-acetoxypropyl-[(3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-methyl-ammonium Formula: C23H28NO2S+ MolecularWeight: 382.53892

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCC[NH+](C)CCC=C1C2=CC=CC=C2CSC3=CC=CC=C31

Isomeric SMILES

CC(=O)OCCC[NH+](C)CC/C=C\1/C2=CC=CC=C2CSC3=CC=CC=C31

InChI

InChI=1S/C23H27NO2S/c1-18(25)26-16-8-15-24(2)14-7-12-21-20-10-4-3-9-19(20)17-27-23-13-6-5-11-22(21)23/h3-6,9-13H,7-8,14-17H2,1-2H3/p+1/b21-12-