1-methyl-4-[[(11R)-2-methyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]oxy]piperidin-1-ium

Systemtic Name: 1-methyl-4-[[(11R)-2-methyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]oxy]piperidin-1-ium Openeye Name: 1-methyl-4-[[(11R)-2-methyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]oxy]piperidin-1-ium CAS Name: 1-methyl-4-[[(11R)-2-methyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]oxy]piperidin-1-ium IUPAC Name: 1-methyl-4-[[(11R)-2-methyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]oxy]piperidin-1-ium Traditional Name: 1-methyl-4-[[(11R)-2-methyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]oxy]piperidin-1-ium Formula: C21H26NOS+ MolecularWeight: 340.50224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SCC3=CC=CC=C3C2OC4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC2=C(C=C1)SCC3=CC=CC=C3[C@H]2OC4CC[NH+](CC4)C

InChI

InChI=1S/C21H25NOS/c1-15-7-8-20-19(13-15)21(23-17-9-11-22(2)12-10-17)18-6-4-3-5-16(18)14-24-20/h3-8,13,17,21H,9-12,14H2,1-2H3/p+1/t21-/m1/s1