2-[4-(2-chloranyl-6H-benzo[c][1]benzothiepin-11-ylidene)piperidin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-(2-chloranyl-6H-benzo[c][1]benzothiepin-11-ylidene)piperidin-1-ium-1-yl]ethanol Openeye Name: 2-[4-(2-chloro-6H-benzo[c][1]benzothiepin-11-ylidene)piperidin-1-ium-1-yl]ethanol CAS Name: 2-[4-(2-chloro-6H-benzo[c][1]benzothiepin-11-ylidene)-1-piperidin-1-iumyl]ethanol IUPAC Name: 2-[4-(2-chloro-6H-benzo[c][1]benzothiepin-11-ylidene)piperidin-1-ium-1-yl]ethanol Traditional Name: 2-[4-(2-chloro-6H-benzo[c][1]benzothiepin-11-ylidene)piperidin-1-ium-1-yl]ethanol Formula: C21H23ClNOS+ MolecularWeight: 372.93142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1=C2C3=CC=CC=C3CSC4=C2C=C(C=C4)Cl)CCO

Isomeric SMILES

C1C[NH+](CCC1=C2C3=CC=CC=C3CSC4=C2C=C(C=C4)Cl)CCO

InChI

InChI=1S/C21H22ClNOS/c22-17-5-6-20-19(13-17)21(15-7-9-23(10-8-15)11-12-24)18-4-2-1-3-16(18)14-25-20/h1-6,13,24H,7-12,14H2/p+1