1-[(11S)-3-methyl-11-phenyl-6H-benzo[c][1]benzothiepin-11-yl]piperidin-1-ium

Systemtic Name: 1-[(11S)-3-methyl-11-phenyl-6H-benzo[c][1]benzothiepin-11-yl]piperidin-1-ium Openeye Name: 1-[(11S)-3-methyl-11-phenyl-6H-benzo[c][1]benzothiepin-11-yl]piperidin-1-ium CAS Name: 1-[(11S)-3-methyl-11-phenyl-6H-benzo[c][1]benzothiepin-11-yl]piperidin-1-ium IUPAC Name: 1-[(11S)-3-methyl-11-phenyl-6H-benzo[c][1]benzothiepin-11-yl]piperidin-1-ium Traditional Name: 1-[(11S)-3-methyl-11-phenyl-6H-benzo[c][1]benzothiepin-11-yl]piperidin-1-ium Formula: C26H28NS+ MolecularWeight: 386.57222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(C3=CC=CC=C3CS2)(C4=CC=CC=C4)[NH+]5CCCCC5

Isomeric SMILES

CC1=CC2=C(C=C1)[C@@](C3=CC=CC=C3CS2)(C4=CC=CC=C4)[NH+]5CCCCC5

InChI

InChI=1S/C26H27NS/c1-20-14-15-24-25(18-20)28-19-21-10-6-7-13-23(21)26(24,22-11-4-2-5-12-22)27-16-8-3-9-17-27/h2,4-7,10-15,18H,3,8-9,16-17,19H2,1H3/p+1/t26-/m0/s1