[(11S)-11-phenyl-6H-benzo[c][1]benzothiepin-11-yl]-(phenylmethyl)azanium

Systemtic Name: [(11S)-11-phenyl-6H-benzo[c][1]benzothiepin-11-yl]-(phenylmethyl)azanium Openeye Name: benzyl-[(11S)-11-phenyl-6H-benzo[c][1]benzothiepin-11-yl]ammonium CAS Name: [(11S)-11-phenyl-6H-benzo[c][1]benzothiepin-11-yl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(11S)-11-phenyl-6H-benzo[c][1]benzothiepin-11-yl]azanium Traditional Name: benzyl-[(11S)-11-phenyl-6H-benzo[c][1]benzothiepin-11-yl]ammonium Formula: C27H24NS+ MolecularWeight: 394.55116

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(C3=CC=CC=C3S1)(C4=CC=CC=C4)[NH2+]CC5=CC=CC=C5

Isomeric SMILES

C1C2=CC=CC=C2[C@](C3=CC=CC=C3S1)(C4=CC=CC=C4)[NH2+]CC5=CC=CC=C5

InChI

InChI=1S/C27H23NS/c1-3-11-21(12-4-1)19-28-27(23-14-5-2-6-15-23)24-16-8-7-13-22(24)20-29-26-18-10-9-17-25(26)27/h1-18,28H,19-20H2/p+1/t27-/m0/s1