3-(9-bromanyl-11-cyano-6H-benzo[c][1]benzothiepin-11-yl)-N-ethyl-N-propyl-propan-1-amine oxide

Systemtic Name: 3-(9-bromanyl-11-cyano-6H-benzo[c][1]benzothiepin-11-yl)-N-ethyl-N-propyl-propan-1-amine oxide Openeye Name: 3-(9-bromo-11-cyano-6H-benzo[c][1]benzothiepin-11-yl)-N-ethyl-N-propyl-propan-1-amine oxide CAS Name: 3-(9-bromo-11-cyano-6H-benzo[c][1]benzothiepin-11-yl)-N-ethyl-N-propyl-1-propanamine oxide IUPAC Name: 3-(9-bromo-11-cyano-6H-benzo[c][1]benzothiepin-11-yl)-N-ethyl-N-propylpropan-1-amine oxide Traditional Name: 3-(9-bromo-11-cyano-6H-benzo[c][1]benzothiepin-11-yl)-N-ethyl-N-propyl-propan-1-amine oxide Formula: C23H27BrN2OS MolecularWeight: 459.44228

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](CC)(CCCC1(C2=CC=CC=C2SCC3=C1C=C(C=C3)Br)C#N)[O-]

Isomeric SMILES

CCC[N+](CC)(CCCC1(C2=CC=CC=C2SCC3=C1C=C(C=C3)Br)C#N)[O-]

InChI

InChI=1S/C23H27BrN2OS/c1-3-13-26(27,4-2)14-7-12-23(17-25)20-8-5-6-9-22(20)28-16-18-10-11-19(24)15-21(18)23/h5-6,8-11,15H,3-4,7,12-14,16H2,1-2H3