1-methyl-4-[(11S)-11-phenyl-6,11-dihydrobenzo[c][1]benzothiepin-3-yl]piperazin-1-ium

Systemtic Name: 1-methyl-4-[(11S)-11-phenyl-6,11-dihydrobenzo[c][1]benzothiepin-3-yl]piperazin-1-ium Openeye Name: 1-methyl-4-[(11S)-11-phenyl-6,11-dihydrobenzo[c][1]benzothiepin-3-yl]piperazin-1-ium CAS Name: 1-methyl-4-[(11S)-11-phenyl-6,11-dihydrobenzo[c][1]benzothiepin-3-yl]piperazin-1-ium IUPAC Name: 1-methyl-4-[(11S)-11-phenyl-6,11-dihydrobenzo[c][1]benzothiepin-3-yl]piperazin-1-ium Traditional Name: 1-methyl-4-[(11S)-11-phenyl-6,11-dihydrobenzo[c][1]benzothiepin-3-yl]piperazin-1-ium Formula: C25H27N2S+ MolecularWeight: 387.56028

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC3=C(C=C2)C(C4=CC=CC=C4CS3)C5=CC=CC=C5

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC3=C(C=C2)[C@H](C4=CC=CC=C4CS3)C5=CC=CC=C5

InChI

InChI=1S/C25H26N2S/c1-26-13-15-27(16-14-26)21-11-12-23-24(17-21)28-18-20-9-5-6-10-22(20)25(23)19-7-3-2-4-8-19/h2-12,17,25H,13-16,18H2,1H3/p+1/t25-/m0/s1